data_2kbr_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kbr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -60.57 -31.75 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.17 -33.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.076 0.465 . . . . 0.0 110.061 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.9 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.788 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -67.9 -42.16 81.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 23.3 mt-10 -70.42 -31.43 68.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.26 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' CE1' HD22 ' A' ' 65' ' ' LEU . 68.6 t80 -76.13 -43.43 43.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.329 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -75.42 -34.75 61.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 12.0 t-160 -71.74 -35.59 70.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.94 -54.28 19.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 38.2 t -53.65 -37.64 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.18 -29.86 65.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.655 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.52 66.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.604 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -86.69 -51.61 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.237 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 19' ' ' ASN . 21.0 mm -77.09 -54.08 13.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.67 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 64.13 4.07 1.95 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.447 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 17' ' ' ILE . 1.7 t30 -104.79 171.15 7.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.08 -49.62 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -40.97 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -66.82 -46.96 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -32.08 73.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.181 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.27 -50.9 69.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.773 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -67.26 -46.46 73.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.641 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.4 -40.99 79.43 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.8 m-85 -61.34 -32.42 72.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.52 -33.96 69.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.909 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.97 -47.7 92.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.24 -43.79 98.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.256 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -33.73 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.378 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -52.2 20.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.336 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CG ' ' CD1' ' A' ' 42' ' ' LEU . 32.4 t80 -56.16 -23.54 35.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -77.49 -46.81 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.839 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.864 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -67.58 -32.2 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.993 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.3 mmt 59.04 49.35 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 0.0 110.719 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -124.35 101.36 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.35 -29.48 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.452 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.12 66.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.91 -43.01 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.573 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' CD1' ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -58.13 -46.13 86.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.746 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.36 -44.56 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.207 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.36 -56.79 23.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.13 -49.15 77.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.855 0.359 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ILE . 10.3 mt -50.75 -33.77 24.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.7 mtpt -70.88 -50.79 31.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.272 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mt -52.88 -26.05 13.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 t -101.06 -28.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 46.0 mt -104.84 24.9 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.312 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -47.61 -28.25 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.1 146.45 32.32 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.752 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.78 -26.17 79.05 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.564 2.176 . . . . 0.0 112.597 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.2 m -55.51 -38.04 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.86 3.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.761 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.27 -46.9 99.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 93.6 Cg_exo -43.73 -26.94 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.851 2.367 . . . . 0.0 113.475 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.1 -33.89 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -67.08 -50.6 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.0 -26.09 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -48.9 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.63 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 8.9 mt -75.01 -35.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -53.11 11.5 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 89.3 Cg_exo -41.09 -53.68 2.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.851 2.367 . . . . 0.0 113.417 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD22 ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -74.25 -24.95 59.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HG21 ' HD2' ' A' ' 67' ' ' PRO . 44.6 mt -67.3 132.98 93.25 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.8 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' HG21 ' A' ' 66' ' ' ILE . 92.2 Cg_exo -39.73 137.63 1.07 Allowed 'Trans proline' 0 CA--C 1.51 -0.7 0 C-N-CA 122.887 2.391 . . . . 0.0 113.231 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.06 -42.87 50.68 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.663 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -44.21 70.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.095 0.474 . . . . 0.0 110.155 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 9.1 m170 -67.11 -25.5 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.457 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.82 -50.86 71.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.042 0.449 . . . . 0.0 109.935 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.07 -52.93 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.937 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -58.06 -34.43 70.11 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 59.1 t80 -61.57 -33.64 74.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -73.11 -36.5 66.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.279 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.83 -32.28 73.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.024 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -72.83 -31.28 64.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -52.27 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.702 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -63.41 -32.18 73.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.5 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.25 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.424 HG23 HD13 ' B' ' 109' ' ' ILE . 62.7 mt -56.8 -55.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.189 0.519 . . . . 0.0 109.858 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 41.1 t80 -71.7 -34.71 69.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.374 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.61 -29.77 68.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.764 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.06 -36.04 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.636 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -67.86 -32.21 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -52.67 -39.78 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 0.0 110.095 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.9 67.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.81 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -39.64 87.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -49.51 40.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.45 -43.27 97.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -71.5 -45.72 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.804 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.0 tmtp? -59.3 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.299 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.43 -37.41 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.725 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -72.89 -29.07 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -29.49 66.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.098 0.475 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -86.86 -52.19 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.359 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' ' 19' ' ' ASN . 22.6 mm -74.45 -56.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.629 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 64.81 4.23 2.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.369 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.4 t-20 -107.97 -172.23 2.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -48.02 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.99 85.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -46.92 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -64.61 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.745 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -67.2 -47.23 71.54 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.681 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -41.37 79.67 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' B' ' 112' ' ' TYR . 1.2 m-85 -61.18 -34.13 74.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.39 -33.42 67.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.376 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 47.5 t -66.7 -49.29 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.77 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.17 -35.16 79.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.227 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.15 -45.56 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.433 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 1.1 ptm -71.8 -28.93 63.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.566 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' CD1' HD22 ' A' ' 42' ' ' LEU . 4.2 t80 -67.59 -39.01 84.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.712 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -66.21 -30.7 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.34 -62.07 1.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.512 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 t -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.78 32.21 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.652 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 1.9 t0 -100.69 101.56 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.41 HG11 ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -64.85 -30.03 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.494 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -26.71 64.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 38' ' ' ASP . 91.8 t -79.03 -47.96 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 33' ' ' TYR . 1.2 pp -59.59 -38.38 81.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 74' ' ' TYR . 57.6 t -63.75 -40.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.95 -53.2 48.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.755 . . . . 0.0 111.952 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.32 -45.42 91.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.231 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 10.3 mt -52.14 -36.27 50.94 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.422 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.5 mttm -68.0 -50.24 56.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.054 0.454 . . . . 0.0 110.395 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -54.84 -26.18 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 t -101.11 -28.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 3.7 mp -110.2 27.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.458 0.647 . . . . 0.0 110.773 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 t-20 -48.96 -27.76 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -94.59 139.56 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.835 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.14 -24.06 47.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.475 2.117 . . . . 0.0 112.482 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -56.93 -36.28 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HB3' ' CG1' ' A' ' 50' ' ' ILE . 14.1 mtt-85 -87.96 12.03 14.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.637 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.7 mt -46.65 -49.37 46.77 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.3 Cg_exo -42.03 -28.18 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.781 2.32 . . . . 0.0 113.319 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.37 -35.4 73.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 111.28 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.69 -45.72 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 5.7 t0 -75.03 -26.36 59.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.57 -48.03 68.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 12.9 mt -75.02 -34.67 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.991 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.9 ttm180 -42.97 -51.05 13.24 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -53.38 -53.32 6.83 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.272 1.981 . . . . 0.0 113.233 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -73.74 -7.37 51.84 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.375 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 mt -85.34 135.61 38.68 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.652 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.416 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 92.9 Cg_exo -41.6 137.06 2.79 Favored 'Trans proline' 0 CA--C 1.508 -0.788 0 C-N-CA 122.907 2.405 . . . . 0.0 112.97 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.11 -42.27 50.09 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 113.752 -1.567 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -71.83 -41.85 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.728 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 14.9 m170 -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.428 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.97 -50.43 73.41 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.045 0.45 . . . . 0.0 110.14 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.17 -54.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.87 -36.32 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 43' ' ' VAL . 34.1 t80 -60.15 -33.67 72.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -35.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.138 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -65.82 -33.68 76.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -55.84 -49.77 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -52.03 67.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -32.2 72.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -58.14 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.59 63.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.05 -55.45 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.1 -33.56 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.415 ' O ' HG12 ' B' ' 115' ' ' ILE . 0.6 OUTLIER -55.06 -45.65 75.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.434 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -67.72 -36.16 80.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.61 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.63 -27.54 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -81.98 -37.68 26.28 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.683 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 111' ' ' GLU . 41.0 mm . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.796 0.331 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -71.39 -31.97 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.9 t -52.45 -34.65 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.184 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.37 66.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.639 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -36.66 81.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.02 -49.99 39.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.401 ' CE2' HD23 ' A' ' 30' ' ' LEU . 27.7 t80 -66.18 -34.68 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -43.77 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -68.47 -44.6 74.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -59.19 -58.0 10.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.339 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.9 t -53.82 -37.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.497 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.39 -27.73 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.725 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.02 70.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -91.46 -51.04 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.943 -179.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.553 ' C ' ' H ' ' A' ' 19' ' ' ASN . 1.8 mp -70.2 -50.57 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.89 3.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.262 0.553 . . . . 0.0 112.424 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.553 ' H ' ' C ' ' A' ' 17' ' ' ILE . 98.6 m-20 -113.48 141.5 47.04 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.705 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.29 -50.84 19.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.11 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.059 0.457 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.68 -46.81 88.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.7 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -62.88 -30.84 71.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.298 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.18 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -67.2 -46.9 72.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.762 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.42 -42.01 81.51 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD2' ' CE2' ' B' ' 112' ' ' TYR . 1.1 m-85 -60.44 -34.34 73.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.24 -32.75 66.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.154 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.18 -50.69 78.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' CE2' ' A' ' 9' ' ' PHE . 1.3 mt -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.33 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -37.89 80.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.518 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.77 -34.19 52.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.351 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.56 -33.37 72.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.572 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -67.25 -34.66 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.23 -54.32 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 t -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.85 40.53 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 111.07 12.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -57.67 -24.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.61 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.408 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.8 -45.75 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.665 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.0 -41.24 96.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.192 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 47.9 t -64.76 -49.55 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.36 -43.11 57.58 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.96 -58.47 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' CE1' ' A' ' 59' ' ' PHE . 1.4 pp -58.49 -23.6 58.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.52 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -65.61 -50.96 63.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.4 -27.23 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.532 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.1 -25.65 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.128 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 6.0 mt -115.25 26.13 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.261 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.4 t-20 -45.01 -25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.2 149.52 36.32 Favored Pre-proline 0 C--N 1.334 -0.105 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.589 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.74 -20.62 52.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.644 2.229 . . . . 0.0 112.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -34.77 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.296 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.9 mtt85 -87.98 11.67 15.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.794 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 7.3 mt -50.94 -46.25 87.71 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 18.7 Cg_exo -31.9 -32.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.535 2.823 . . . . 0.0 115.028 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.427 ' CB ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -54.69 -33.39 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.251 -0.28 . . . . 0.0 111.703 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CE1' HD12 ' A' ' 46' ' ' LEU . 59.3 m-85 -64.51 -50.92 65.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.738 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 4.0 t70 -75.27 -28.97 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 0.0 110.599 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.654 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.17 -50.38 54.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.926 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.0 mt -76.01 -35.72 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -47.97 -36.41 10.33 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 17.4 Cg_exo -68.18 -52.89 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.374 2.05 . . . . 0.0 112.922 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.72 -33.58 75.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.051 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -66.04 145.04 99.0 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 63.1 Cg_exo -37.75 137.53 0.4 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 122.915 2.41 . . . . 0.0 113.413 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' HA ' ' HG2' ' A' ' 71' ' ' GLN . 4.9 mt -50.04 -31.95 14.23 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.546 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -71.9 -37.69 70.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.748 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.6 pt20 -60.33 -39.2 86.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.921 0.391 . . . . 0.0 110.114 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 2.9 t -63.04 -57.2 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.71 -32.45 65.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.35 -36.73 76.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.34 64.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.605 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -65.89 -33.48 75.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.803 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 110.788 -179.707 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -53.47 -51.79 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.02 -52.2 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -32.31 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -61.98 -58.26 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.126 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -45.94 56.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.48 -55.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -65.32 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.68 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 27' ' ' TYR . 54.8 t80 -71.95 -33.82 68.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.611 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -31.66 70.25 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.13 -33.69 29.53 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.575 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.896 0.379 . . . . 0.0 111.021 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -32.22 54.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.426 HG13 ' CD1' ' B' ' 104' ' ' TYR . 40.4 t -52.58 -41.81 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.07 66.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.729 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -67.71 -39.38 84.37 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.3 -48.72 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD1' HD21 ' A' ' 65' ' ' LEU . 73.8 t80 -64.79 -39.17 93.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -73.4 -43.2 61.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.852 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -67.18 -41.83 85.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.69 -57.03 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 110.446 179.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.39 -37.34 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.632 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.73 -28.17 63.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.587 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.59 -31.59 69.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.439 . . . . 0.0 110.418 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -89.63 -51.54 5.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.059 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 19' ' ' ASN . 6.5 mt -85.55 -59.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.493 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.55 3.7 3.49 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.046 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 17' ' ' ILE . 85.6 m-20 -106.75 161.3 14.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.73 -39.57 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.25 -54.04 50.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.013 0.435 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.24 -45.81 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.439 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -30.99 71.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.143 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -52.41 64.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.892 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -67.15 -44.54 79.53 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.585 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.59 -41.74 81.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.4 m-85 -61.26 -32.38 72.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -35.5 71.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.885 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.59 -48.45 88.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.376 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.29 -37.58 86.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.889 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -55.72 -41.8 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.267 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.8 mmm -64.83 -49.98 68.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 37' ' ' MET . 12.3 t80 -56.36 -23.05 34.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -81.76 -46.13 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.52 -62.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.979 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -77.82 -38.25 46.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.904 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.36 51.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -114.78 109.62 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 t -62.0 -21.64 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.298 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.68 -29.41 61.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.05 -38.46 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.616 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD13 ' CG ' ' A' ' 33' ' ' TYR . 1.2 mt -65.42 -45.17 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.19 -41.88 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.78 -55.69 29.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.643 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.47 -44.47 97.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' HD13 ' A' ' 50' ' ' ILE . 11.8 mt -50.52 -42.7 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.3 mttm -66.33 -49.52 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.609 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.8 -26.37 9.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.28 -28.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.28 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 11.9 mt -101.43 23.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.19 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.5 m120 -46.49 -29.62 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.968 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.83 144.94 29.59 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.46 -24.39 52.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.508 2.139 . . . . 0.0 112.617 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.2 p -58.39 -38.25 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.02 14.16 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.637 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.6 mt -53.23 -52.5 65.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.98 -27.73 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.475 2.783 . . . . 0.0 113.68 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -53.72 -33.37 55.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 111.224 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.44 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 18.1 m-85 -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.562 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.4 OUTLIER -75.13 -21.85 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.631 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.18 -51.45 45.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.523 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.46 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 8.7 mt -76.18 -35.92 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.51 ' CG ' ' HD3' ' A' ' 64' ' ' PRO . 11.3 ptt180 -46.34 -37.2 7.53 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.631 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 47.6 Cg_exo -58.01 -52.88 5.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.072 1.848 . . . . 0.0 112.482 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -72.11 -19.33 61.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 179.531 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.23 134.17 80.51 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.03 135.16 8.15 Favored 'Trans proline' 0 CA--C 1.509 -0.729 0 C-N-CA 122.766 2.311 . . . . 0.0 112.868 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.26 -26.78 5.09 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.66 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -87.2 -34.23 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -73.53 -32.62 64.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.686 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 3.0 pt20 -65.27 -37.24 86.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.6 t -64.15 -59.59 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -58.57 -36.11 73.44 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -57.14 -33.48 67.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -72.89 -42.19 63.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.919 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.78 -16.22 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--N 1.332 -0.162 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.459 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.799 0.333 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.426 ' CD1' HG13 ' A' ' 5' ' ' VAL . 21.5 m-85 -60.24 -36.07 76.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.11 -52.24 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -62.19 -32.18 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -57.99 10.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.08 72.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.29 -55.47 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -65.72 -38.87 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.99 -40.06 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 3.1 t80 -71.9 -33.92 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.606 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.97 -32.37 69.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.781 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -82.03 -34.47 29.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.915 0.388 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.88 -31.68 70.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.16 -33.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.268 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.04 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.648 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -35.99 79.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.48 -50.0 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.487 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -59.48 -42.14 91.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -48.26 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.807 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -59.15 -43.29 92.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.56 -53.93 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.467 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.3 t -53.38 -37.52 29.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -69.67 -29.04 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -32.65 71.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.07 0.462 . . . . 0.0 110.551 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 3.8 mt -82.92 -51.29 7.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.195 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 19' ' ' ASN . 23.5 mm -75.63 -55.81 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.5 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 64.38 4.22 2.12 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.445 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' A' ' 17' ' ' ILE . 24.5 t30 -105.82 174.39 5.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.25 -52.49 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.04 74.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.24 -46.84 78.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -61.54 -32.67 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.318 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -62.28 -51.58 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.18 -43.14 82.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -46.61 83.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE2' ' CD1' ' B' ' 112' ' ' TYR . 0.3 OUTLIER -60.01 -31.35 69.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -72.46 -33.24 66.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.26 -49.36 76.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.568 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.36 -37.05 85.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -45.85 87.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.315 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.168 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.407 ' CD1' HD22 ' A' ' 42' ' ' LEU . 6.9 t80 -63.05 -34.66 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.634 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -75.02 -30.39 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.22 -62.21 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.47 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -72.64 -26.39 61.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.522 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.74 33.36 12.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 0.0 110.658 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -113.62 113.26 24.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.89 -22.85 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.59 -27.01 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.972 0.415 . . . . 0.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.4 t -78.38 -43.44 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD22 ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -63.52 -39.64 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.21 -40.9 86.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.3 -52.45 49.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.141 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.53 -47.25 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.508 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 50' ' ' ILE . 9.6 mt -50.56 -44.39 56.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -62.76 -50.44 71.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.592 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.87 -26.69 10.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.456 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.28 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.163 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 7.1 mt -101.9 22.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.95 -30.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.57 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.82 -24.96 74.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.654 2.236 . . . . 0.0 112.625 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -38.41 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.606 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.95 15.13 7.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.947 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.8 mt -56.99 -45.86 99.92 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.8 Cg_exo -43.8 -26.92 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.818 2.346 . . . . 0.0 113.515 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.85 -41.3 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 111.263 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -61.3 -50.87 71.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -75.19 -26.66 59.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.92 -50.04 58.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.629 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 16.8 mt -75.12 -35.44 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 5.4 ttt85 -42.93 -51.02 13.15 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 91.4 Cg_exo -41.18 -54.19 2.69 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.554 2.169 . . . . 0.0 113.622 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -74.58 -30.48 61.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.7 mt -56.59 135.04 77.62 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 84.6 Cg_exo -45.09 140.63 7.25 Favored 'Trans proline' 0 CA--C 1.508 -0.791 0 C-N-CA 122.82 2.347 . . . . 0.0 113.026 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.13 -46.3 53.74 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.622 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.83 70.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.214 0.531 . . . . 0.0 109.876 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 23.1 m170 -68.32 -29.29 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.143 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.26 -53.48 57.76 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.053 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.48 -53.25 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.061 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -57.33 -33.98 68.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.694 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.7 t80 -60.57 -33.64 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.92 -41.69 64.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.333 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.44 -22.32 66.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.677 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.684 0.278 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.69 -33.82 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mt -59.44 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -58.92 -35.19 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.61 -58.04 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.416 HG23 HD12 ' B' ' 109' ' ' ILE . 57.5 mt -57.08 -55.43 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -35.6 79.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.552 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -42.65 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.154 0.502 . . . . 0.0 109.782 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.511 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 70.1 t80 -70.6 -33.99 71.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.592 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.93 -30.33 68.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.735 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.06 -35.42 28.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.684 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.922 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -63.24 -32.0 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 t -52.24 -35.61 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.25 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.668 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -67.7 -38.49 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.47 -50.06 42.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.47 -41.21 98.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -44.22 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.73 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.415 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 7.7 m170 -59.74 -45.41 92.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.751 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.22 -47.06 86.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.936 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.1 t -53.73 -49.87 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.172 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.2 p30 -72.98 -17.42 61.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.76 -37.89 76.56 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.29 0.566 . . . . 0.0 109.957 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -93.53 -46.89 7.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.004 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.527 ' C ' ' H ' ' A' ' 19' ' ' ASN . 2.5 mp -68.57 -52.6 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 56.05 3.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.248 0.547 . . . . 0.0 112.03 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.9 t30 -110.67 -165.74 1.02 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.28 -47.25 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.74 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CB ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -64.6 -46.93 80.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.844 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.47 -33.53 75.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.256 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -47.91 82.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 109.957 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -67.1 -49.04 66.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.839 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.4 -41.58 80.56 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' B' ' 112' ' ' TYR . 3.6 m-85 -61.02 -34.28 74.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -32.77 66.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.91 -54.31 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.589 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.42 -39.29 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.179 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -60.34 -41.72 94.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.306 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.1 ttp -72.64 -38.86 67.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.307 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 37' ' ' MET . 8.2 t80 -62.33 -25.18 67.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.733 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -80.41 -35.84 34.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.487 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -70.92 -30.41 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.458 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.7 38.83 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -109.08 110.77 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 t -73.27 -25.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.87 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -78.98 -46.1 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.5 pp -61.95 -40.16 94.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.549 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.26 -43.98 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -51.73 56.41 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.131 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -61.74 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 50' ' ' ILE . 10.5 mt -51.03 -42.52 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.9 mtpp -66.53 -49.17 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.84 -26.69 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.07 -27.57 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.372 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 14.8 mt -102.83 23.42 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.0 m120 -47.45 -28.96 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -97.3 154.16 38.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.35 -20.1 49.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.615 2.21 . . . . 0.0 112.87 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.312 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 10.54 18.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.729 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.4 mt -52.04 -46.7 93.0 Favored Pre-proline 0 CA--C 1.533 0.317 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -43.58 -25.36 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.775 2.317 . . . . 0.0 113.732 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.08 -50.04 72.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 111.326 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 50' ' ' ILE . 35.3 m-85 -54.8 -50.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -74.02 -28.57 61.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.529 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.6 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.376 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 3.7 mt -74.89 -35.5 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.374 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.528 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.33 -53.06 11.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 88.1 Cg_exo -41.14 -53.75 2.87 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.674 2.25 . . . . 0.0 113.366 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.27 -24.71 59.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 179.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.99 128.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.4 140.54 8.32 Favored 'Trans proline' 0 CA--C 1.508 -0.804 0 C-N-CA 122.863 2.375 . . . . 0.0 113.105 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.16 -43.34 52.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.28 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -71.11 -41.66 70.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.298 0.57 . . . . 0.0 109.684 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -64.38 -29.01 70.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.239 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.65 -45.12 95.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.991 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -61.35 -54.68 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.845 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.78 -34.27 71.26 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.44 -33.63 71.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -42.48 62.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -66.31 -27.28 67.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.452 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.892 -179.193 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -60.0 -36.54 77.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -52.16 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.671 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -60.18 -32.03 70.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.64 -58.09 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.39 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 110.903 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.45 -54.58 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -34.34 77.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.47 -45.44 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 109.76 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 27' ' ' TYR . 44.1 t80 -69.28 -33.86 73.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.642 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.92 -30.31 68.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.805 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -34.89 29.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.885 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -71.0 -31.92 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -52.45 -35.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.974 0.416 . . . . 0.0 110.254 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.72 -39.18 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.595 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -39.18 84.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.3 -49.04 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.343 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -62.22 -39.71 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -49.83 47.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.672 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 4.0 t-160 -59.79 -40.87 89.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.41 -46.53 88.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.117 179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.49 -51.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.1 p30 -73.21 -16.68 61.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -36.77 76.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.263 0.554 . . . . 0.0 110.095 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -93.42 -51.13 5.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.888 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' A' ' 19' ' ' ASN . 3.1 mp -65.85 -52.95 43.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.46 3.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 111.806 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 17' ' ' ILE . 3.0 t30 -107.18 -165.18 1.04 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -124.06 -51.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.32 74.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.18 -46.79 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.18 -33.51 75.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -62.42 -47.9 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.727 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 57.6 t80 -67.16 -47.92 69.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.889 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.29 -42.5 81.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 0.8 OUTLIER -60.79 -34.36 74.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.64 -32.28 65.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.423 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.29 -54.31 32.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -69.82 -38.58 76.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.678 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -37.46 57.6 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' MET . 11.1 t80 -63.99 -32.4 73.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -64.03 -39.76 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -62.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -65.79 -28.56 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.553 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 17.0 mmt 61.51 32.28 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -102.38 111.67 24.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 39.4 t -73.98 -24.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.216 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.85 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.97 -48.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 33' ' ' TYR . 2.3 pp -61.58 -38.25 86.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 HG23 ' CD2' ' A' ' 74' ' ' TYR . 99.0 t -61.55 -41.41 90.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.438 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.62 55.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.205 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.425 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 47.8 m-20 -60.67 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.853 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 10.1 mt -50.45 -42.73 54.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.585 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.91 -50.48 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 0.0 110.57 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -26.74 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.33 -27.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 2.7 mp -109.99 27.44 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.447 0.642 . . . . 0.0 111.004 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -50.33 -26.24 4.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -95.63 155.98 37.96 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 -21.86 33.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.679 2.253 . . . . 0.0 112.764 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -60.57 -36.64 78.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 10.48 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.552 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 4.0 mt -44.68 -56.76 7.89 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 5.7 Cg_exo -38.26 -30.45 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.388 2.725 . . . . 0.0 113.348 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' CD2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.63 -33.3 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.642 0.258 . . . . 0.0 111.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 50' ' ' ILE . 20.6 m-85 -71.69 -50.68 28.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 11.2 t0 -73.58 -22.1 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.06 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.525 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.0 mt -75.15 -35.31 34.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -42.89 -51.91 11.99 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 85.4 Cg_exo -41.07 -53.75 2.83 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.806 2.337 . . . . 0.0 113.594 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -74.49 -26.22 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.92 134.37 96.04 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.786 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 82.3 Cg_exo -44.34 138.34 7.34 Favored 'Trans proline' 0 CA--C 1.509 -0.738 0 C-N-CA 122.736 2.291 . . . . 0.0 113.118 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.26 -37.93 38.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.343 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -73.11 -45.06 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 0.0 109.718 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.3 m170 -64.6 -24.83 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.18 -50.18 72.83 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.002 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.75 -53.96 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.103 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.64 -35.89 71.12 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.738 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.429 ' CD2' HG23 ' A' ' 43' ' ' VAL . 62.8 t80 -60.32 -33.74 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.24 -34.86 66.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.266 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -65.77 -34.61 78.58 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.781 0.325 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.25 -31.35 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.85 -52.2 66.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' B' ' 107' ' ' GLU . 2.0 ptt180 -62.34 -32.25 73.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 106' ' ' ARG . 13.2 mt-10 -57.95 -58.14 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.57 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.17 -55.36 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -43.95 64.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.059 0.457 . . . . 0.0 109.909 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 57.5 t80 -70.2 -34.0 72.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.656 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -59.98 -31.23 69.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.819 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -81.99 -33.64 30.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.749 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.55 -31.87 67.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -52.18 -33.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.1 64.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.714 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -41.42 82.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.307 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -42.26 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.737 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.58 -44.07 91.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.178 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -72.42 -45.99 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.805 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -63.88 -39.55 94.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.46 -54.73 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.36 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -53.35 -38.73 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.65 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.2 -26.18 61.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.59 -32.42 71.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.039 0.447 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -88.32 -50.9 6.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.057 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 19' ' ' ASN . 5.1 mp -86.46 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 66.3 3.66 2.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.649 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 17' ' ' ILE . 10.6 t30 -94.84 168.2 10.95 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.838 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.17 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -39.63 63.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.94 -46.96 66.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 ttmt -65.19 -33.12 75.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.17 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -46.69 87.38 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 63.6 t80 -67.41 -48.85 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.772 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.3 tp -57.2 -42.36 81.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.0 OUTLIER -61.14 -33.03 72.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.14 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -72.4 -33.17 66.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.06 -54.31 35.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.707 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.61 -40.45 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.374 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.69 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.436 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -32.64 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 37' ' ' MET . 6.7 t80 -66.98 -26.4 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -80.69 -31.12 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -62.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.485 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 t -76.05 -22.5 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 7.2 mmt 62.27 38.54 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.29 112.23 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.89 -24.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -27.25 60.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.87 -42.17 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.962 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.1 pp -65.56 -39.25 91.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG23 ' CD2' ' A' ' 74' ' ' TYR . 57.7 t -64.49 -43.29 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.491 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.6 -52.61 50.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.07 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 3.2 m-20 -60.81 -44.61 96.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.413 . . . . 0.0 110.491 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -50.57 -39.63 50.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mptm? -68.47 -49.67 58.13 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.91 -26.73 10.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.16 -27.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 23.3 mt -104.1 25.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 4.2 m-20 -49.51 -27.34 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.872 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.99 144.8 29.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.784 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.35 -25.1 63.79 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 112.643 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t -56.67 -38.49 72.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.381 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 14.22 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.766 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.4 mt -51.34 -54.83 34.42 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -35.45 -31.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.583 2.855 . . . . 0.0 113.766 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.0 -43.03 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 111.363 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 16.5 m-85 -60.62 -50.71 72.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.317 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -74.88 -26.63 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.852 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.64 -48.34 66.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.484 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.404 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 9.8 mt -74.89 -35.01 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.123 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.6 ttm180 -43.05 -52.48 11.78 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.0 Cg_endo -51.98 -53.11 7.54 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.322 2.015 . . . . 0.0 113.073 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.56 -8.72 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.294 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 66' ' ' ILE . 10.9 mt -84.45 133.57 44.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.751 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 1.7 Cg_endo -45.08 138.42 9.17 Favored 'Trans proline' 0 CA--C 1.508 -0.775 0 C-N-CA 122.948 2.432 . . . . 0.0 112.62 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -49.92 -45.72 51.28 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.733 -1.576 . . . . 0.0 111.55 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -56.32 20.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.11 0.481 . . . . 0.0 110.143 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 11.5 m170 -62.32 -23.19 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.606 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.06 -49.58 73.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.067 0.46 . . . . 0.0 109.914 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.45 -53.86 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.978 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.33 -35.48 71.95 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' CD2' HG23 ' A' ' 43' ' ' VAL . 19.3 t80 -60.54 -33.66 72.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -33.22 65.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.364 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.69 -34.39 78.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -72.88 -53.58 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.773 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.11 -51.98 67.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.53 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.55 -58.08 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.56 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.73 -55.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.741 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.5 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.39 -34.37 67.85 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.662 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.53 -32.04 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.1 0.476 . . . . 0.0 109.792 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -82.06 -34.2 29.55 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.863 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 111.003 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.718 0.294 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.054 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.441 ' CG1' ' CD2' ' B' ' 104' ' ' TYR . 39.2 t -52.66 -38.34 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.423 . . . . 0.0 110.135 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.8 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.833 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -38.8 84.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -71.95 -49.5 36.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' CD1' HD21 ' A' ' 65' ' ' LEU . 43.2 t80 -61.98 -39.52 92.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.385 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -73.35 -46.5 48.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -62.04 -42.96 99.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.724 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.77 -56.69 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.29 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -53.44 -37.21 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.7 -28.22 62.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -69.6 -32.84 71.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.837 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.5 mt -89.63 -43.25 10.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.935 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 4.3 mp -92.69 -64.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.0 1.77 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.606 0.717 . . . . 0.0 111.067 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -90.15 -167.79 1.94 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.771 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.17 -55.58 1.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.13 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 111.235 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 17' ' ' ILE . 2.1 mp0 -65.49 -44.49 86.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -34.37 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.21 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.54 -50.61 71.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.009 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 52.7 t80 -67.27 -46.5 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.872 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.4 -41.9 81.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.03 -33.87 73.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.43 -33.33 67.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.224 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.18 -54.47 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.778 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -59.44 -39.33 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.07 0.462 . . . . 0.0 110.249 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -40.06 76.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 mtp -73.22 -43.89 60.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.205 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' MET . 16.3 t80 -61.72 -18.26 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.984 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.405 ' CD2' HD11 ' B' ' 109' ' ' ILE . 58.5 t-80 -85.25 -40.46 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -76.85 -28.41 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.736 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.487 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 69.37 41.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.001 0.429 . . . . 0.0 110.756 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 p30 -102.19 112.58 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.4 t -81.72 -23.36 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.69 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.05 -42.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 33' ' ' TYR . 1.2 pp -63.5 -40.66 97.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.588 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.431 HG22 ' CE1' ' A' ' 74' ' ' TYR . 86.8 t -60.75 -43.42 95.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.915 0.388 . . . . 0.0 110.352 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.55 -47.08 92.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.096 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 50.4 m-20 -61.89 -49.7 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.529 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.403 ' HB3' HD11 ' A' ' 50' ' ' ILE . 9.6 mt -50.46 -38.06 41.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' ASN . 3.7 mttp -67.51 -49.7 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.229 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.22 -26.88 12.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.532 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.25 -27.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 16.2 mt -104.99 25.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.374 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -47.5 -29.0 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.907 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -98.9 153.18 37.95 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.34 -20.11 55.38 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.859 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -37.89 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.89 12.31 13.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.676 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.62 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.9 mt -51.45 -53.73 46.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -38.52 -28.22 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.449 2.766 . . . . 0.0 113.737 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.82 -53.16 56.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.605 0.24 . . . . 0.0 111.068 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 50' ' ' ILE . 37.6 m-85 -50.93 -42.48 59.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -71.56 -29.31 64.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.138 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.17 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.384 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.491 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 1.1 mm -75.23 -35.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.056 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.11 11.17 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 82.4 Cg_exo -44.46 -54.08 4.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.742 2.295 . . . . 0.0 113.668 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -74.53 -26.38 59.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.149 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 66' ' ' ILE . 50.1 mt -66.72 133.03 94.07 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.36 139.9 35.69 Favored 'Trans proline' 0 CA--C 1.506 -0.899 0 C-N-CA 122.778 2.319 . . . . 0.0 112.74 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.22 -37.85 37.41 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.255 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -73.18 -45.03 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.293 0.568 . . . . 0.0 109.695 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.142 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.12 -43.1 99.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.919 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.0 -58.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.038 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.4 -35.04 69.52 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CE1' HG22 ' A' ' 43' ' ' VAL . 58.2 t80 -59.72 -33.56 71.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -33.03 65.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.145 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -65.39 -34.25 77.87 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . 0.441 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 2.5 m-85 -56.46 -38.02 71.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.068 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.85 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -64.16 -32.09 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.986 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -58.43 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.857 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.75 61.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 34' ' ' HIS . 71.3 mt -56.41 -51.37 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -64.25 -37.13 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.478 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.55 -41.46 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -71.36 -34.43 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.736 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -59.98 -31.0 69.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.734 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.842 0.353 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -57.0 -31.95 65.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.41 -38.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.422 . . . . 0.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.56 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.644 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -36.06 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.96 -50.17 37.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.6 -36.26 83.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.175 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -72.56 -44.37 62.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.861 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.5 -44.42 96.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmmm -59.21 -53.72 55.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.5 t -53.16 -37.29 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.83 -28.77 64.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.59 -32.67 71.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.099 0.476 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -89.44 -50.09 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.052 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -85.37 -61.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.526 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 67.43 3.8 3.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.422 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -102.08 166.83 10.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -100.72 -47.49 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.07 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -45.9 91.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.658 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -61.46 -52.42 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.034 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -67.26 -44.74 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.36 -42.95 83.04 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.7 m-85 -61.17 -32.22 71.95 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.36 -33.08 67.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.221 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.96 -54.35 30.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.732 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.91 -37.45 82.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.329 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -64.75 -44.2 90.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -37.31 80.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CD1' HD23 ' A' ' 42' ' ' LEU . 9.3 t80 -61.08 -37.47 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.616 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -71.05 -31.31 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -62.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.341 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 t -71.89 -26.56 62.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.543 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.18 37.17 9.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.7 111.13 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.995 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.01 -24.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -24.32 59.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.687 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.95 -43.03 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.4 pp -66.45 -39.46 88.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.87 -41.73 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.01 -51.97 56.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.072 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.62 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.529 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 50' ' ' ILE . 9.3 mt -51.32 -41.76 60.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' ASN . 18.0 mttt -66.14 -50.32 64.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.8 -26.77 10.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.45 -27.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.255 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 18.8 mt -101.94 22.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.236 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' LYS . 23.8 p30 -46.12 -29.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.104 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.22 142.64 24.97 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.23 -26.16 59.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.563 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -59.92 -33.12 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.315 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -87.89 12.03 14.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.676 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 10.5 mt -53.06 -54.68 41.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.99 -27.77 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.42 2.747 . . . . 0.0 113.745 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.75 -33.53 56.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.625 0.25 . . . . 0.0 111.444 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 20.3 m-85 -68.69 -50.86 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 1.3 t70 -73.34 -23.55 60.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.512 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.78 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.529 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.1 mt -75.3 -35.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.12 -52.59 11.87 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 91.0 Cg_exo -41.16 -53.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.797 2.331 . . . . 0.0 113.44 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.18 -25.73 59.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.91 128.28 93.71 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.752 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.438 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.1 Cg_endo -47.98 161.55 0.35 Allowed 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.693 2.262 . . . . 0.0 112.741 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -28.09 66.48 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 113.781 -1.554 . . . . 0.0 111.968 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -78.98 -47.83 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.076 0.465 . . . . 0.0 110.052 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 54.2 m170 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.22 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -61.23 -49.47 77.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 110.129 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.84 -53.32 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -33.85 70.11 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.34 -34.25 76.29 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.15 -35.99 66.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.03 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.85 -31.79 72.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.791 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.795 0.331 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -53.76 -52.56 59.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.787 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -59.89 -34.02 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.12 -58.19 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.22 73.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.5 mt -56.56 -55.44 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.34 -35.15 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.0 -43.03 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.073 0.463 . . . . 0.0 109.808 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.503 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 4.7 t80 -70.12 -35.56 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.63 -29.05 67.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.72 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -81.9 -36.35 28.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.798 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.11 70.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.51 -35.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.253 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.75 -36.3 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.823 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -36.31 80.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.97 -49.15 39.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.284 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.17 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.086 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -73.17 -50.01 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 6.6 t-160 -60.89 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.3 mmtp -59.27 -57.96 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.62 -37.56 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -72.95 -28.79 62.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' NE2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -69.7 -30.61 68.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 110.618 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -93.25 -49.23 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.302 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.542 ' C ' ' H ' ' A' ' 19' ' ' ASN . 2.2 mp -73.79 -51.56 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 55.96 3.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 0.0 111.95 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.542 ' H ' ' C ' ' A' ' 17' ' ' ILE . 24.8 m120 -110.45 159.33 17.59 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.818 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.2 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.12 88.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.3 -46.82 78.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.694 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -62.3 -31.95 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.236 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -51.05 69.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.887 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.19 -45.71 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.577 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.48 -41.69 81.18 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' CD2' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.33 -33.54 73.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.22 -33.17 67.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.11 -51.81 67.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.484 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.35 -40.56 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.532 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.97 -37.55 88.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -47.09 54.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.787 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.445 ' CG ' ' CD1' ' A' ' 42' ' ' LEU . 14.0 t80 -56.15 -42.13 76.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -30.18 68.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -77.99 -57.81 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.985 0.422 . . . . 0.0 111.372 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -77.59 -22.83 50.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.445 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.5 mmt 61.02 47.95 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.708 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 5.6 t0 -124.66 113.74 18.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.51 -23.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.963 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.58 -23.99 62.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.197 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 38' ' ' ASP . 67.2 t -75.85 -54.12 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.514 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD1' ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -55.23 -41.07 71.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.634 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -49.22 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.33 46.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.1 -42.62 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.327 . . . . 0.0 110.808 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CD2' HD11 ' A' ' 50' ' ' ILE . 10.5 mt -51.95 -42.43 62.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ASN . 27.0 mmtt -66.02 -50.52 63.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.381 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.1 mt -51.83 -26.03 9.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.675 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -99.3 -27.73 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 17.3 mt -104.31 25.11 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -47.03 -28.84 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.932 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -97.7 152.49 38.17 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.16 -18.87 51.21 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.775 2.317 . . . . 0.0 112.808 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -66.83 -38.85 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.247 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -87.83 9.8 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.714 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mt -53.3 -45.76 98.24 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 81.8 Cg_exo -43.05 -24.74 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.764 2.31 . . . . 0.0 113.639 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' A' ' 50' ' ' ILE . 3.6 mt -53.89 -44.93 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.368 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 50' ' ' ILE . 34.1 m-85 -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.367 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 9.7 t70 -74.86 -28.56 60.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.66 69.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.622 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 12.1 mt -74.92 -35.66 36.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.84 -54.06 11.58 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.457 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.2 Cg_exo -43.98 -53.11 4.89 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.131 2.554 . . . . 0.0 113.964 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -73.33 -7.0 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.16 141.97 35.55 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.954 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.62 137.6 1.62 Allowed 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 122.895 2.397 . . . . 0.0 113.233 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 5.3 mt -50.11 -25.02 3.08 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.732 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -88.64 -34.99 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 51.4 m170 -75.34 -31.17 60.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.934 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 3.9 pt20 -63.85 -40.99 97.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.053 0.454 . . . . 0.0 109.808 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.5 t -65.56 -57.71 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.971 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -58.17 -34.65 70.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.7 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 10.0 t80 -61.24 -33.79 74.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.05 -34.15 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.094 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -65.89 -31.69 72.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.593 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.02 -48.89 72.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -52.15 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.747 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -57.04 -32.27 66.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -58.1 9.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.17 83.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.12 -55.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.578 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.07 -33.32 75.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.39 -43.84 71.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 109.934 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.492 ' CD2' ' CG ' ' A' ' 27' ' ' TYR . 13.6 t80 -72.26 -34.32 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.616 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.92 -31.63 71.15 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.08 -32.32 30.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.836 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.98 -32.06 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.49 -37.13 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.136 0.493 . . . . 0.0 110.217 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.88 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.8 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -39.54 84.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.82 -47.02 56.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.459 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 13.7 t80 -66.79 -35.65 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.24 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -74.39 -45.5 46.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.665 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -65.77 -42.61 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.784 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.8 mmtm -59.35 -57.6 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.5 t -53.4 -37.26 28.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.811 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.56 -31.79 70.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.138 0.494 . . . . 0.0 110.633 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -93.26 -34.93 13.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.054 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.487 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 2.9 mp -95.47 -67.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.969 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.6 3.41 1.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.335 0.588 . . . . 0.0 112.023 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.487 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 1.7 m120 -108.03 126.51 52.81 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.667 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.95 -46.01 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.92 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.5 -45.36 87.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.22 -31.93 73.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.091 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.99 -51.71 66.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.018 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -67.22 -46.35 74.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.43 -41.19 79.97 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.5 m-85 -60.5 -34.18 73.69 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.4 -32.84 66.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.304 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.62 -54.44 28.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.25 -37.42 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.322 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -44.71 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -40.95 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.436 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.425 ' CD1' HD22 ' A' ' 42' ' ' LEU . 11.9 t80 -58.63 -38.54 78.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -56.22 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -77.57 -26.98 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.296 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.9 40.0 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -117.77 112.44 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 t -68.16 -23.35 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.23 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.4 t -78.58 -45.7 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 33' ' ' TYR . 1.1 pp -63.42 -39.2 93.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.74 -42.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -52.69 50.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.992 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.95 -43.17 99.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.25 -36.82 53.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.408 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -69.19 -50.41 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.123 0.487 . . . . 0.0 110.244 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -26.57 11.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.722 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 t -100.46 -28.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 31.6 mt -104.48 25.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.8 p-10 -48.11 -28.11 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.001 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.84 152.02 37.88 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.64 -18.86 54.14 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.731 2.287 . . . . 0.0 112.752 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 m -64.53 -37.78 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -88.05 11.65 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.635 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.2 mt -53.57 -45.85 98.45 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.7 Cg_exo -41.95 -28.27 0.76 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.695 2.263 . . . . 0.0 113.482 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB3' HD11 ' A' ' 50' ' ' ILE . 1.9 mt -55.35 -42.51 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -60.77 -46.93 88.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.052 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -75.08 -29.39 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.795 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.5 66.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.663 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.4 mt -74.61 -34.74 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.117 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.04 -54.06 9.58 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 19.2 Cg_endo -59.17 -52.98 4.03 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.349 2.033 . . . . 0.0 113.276 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -59.47 -20.6 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.599 0.238 . . . . 0.0 111.63 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.403 ' CG1' ' HD2' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -81.08 144.11 54.07 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.652 0.263 . . . . 0.0 111.194 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 99.7 Cg_exo -42.41 139.81 2.78 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 113.291 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -49.98 -36.28 27.61 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.22 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -73.86 -46.2 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.323 0.583 . . . . 0.0 109.578 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' CE1' ' HG2' ' A' ' 67' ' ' PRO . 11.9 m170 -63.71 -27.71 69.4 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.109 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -58.64 -54.16 50.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.53 -52.55 58.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.131 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.74 -35.12 68.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.738 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -61.02 -33.86 73.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -34.66 66.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.329 178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.62 -31.32 72.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.62 -37.76 79.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.04 67.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.31 -58.2 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -46.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.55 -55.43 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -63.99 -35.42 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -54.18 -42.03 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 16.7 t80 -72.43 -33.9 67.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.606 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.36 -32.12 70.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.08 -32.97 30.05 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.569 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -31.87 34.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.652 0.263 . . . . 0.0 111.358 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.31 -37.48 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.277 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.06 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.733 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.04 83.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.71 -43.08 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 11.1 t80 -63.27 -44.97 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.294 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -72.3 -45.45 59.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.6 -41.31 97.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmtp -60.94 -53.66 54.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.428 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.25 -37.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.75 -28.54 64.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -31.96 70.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.128 0.489 . . . . 0.0 110.311 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.3 mt -88.37 -51.97 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.159 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 19' ' ' ASN . 7.1 mm -86.09 -58.71 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.373 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 66.2 3.75 2.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.571 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 17' ' ' ILE . 1.5 m-20 -99.14 178.74 4.82 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.737 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -111.99 -46.96 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.52 85.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.047 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.27 -46.95 72.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.521 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.29 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.98 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.01 -50.76 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.893 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.27 -46.17 74.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.38 -42.04 81.37 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.0 m-85 -61.91 -32.47 72.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -33.48 67.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.161 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.38 -54.39 33.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 CA-C-O 120.873 0.368 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.79 -33.06 74.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.134 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -65.34 -40.77 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -31.63 52.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.184 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CD1' HD21 ' A' ' 42' ' ' LEU . 15.2 t80 -66.05 -31.37 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -68.94 -34.85 76.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -55.3 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -75.67 -30.18 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.54 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 6.7 mmt 62.19 41.15 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.609 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.61 110.58 21.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.3 -24.58 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.76 -25.71 59.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.97 -45.54 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 33' ' ' TYR . 1.3 pp -64.34 -39.4 93.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.76 -40.93 84.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.5 -54.39 36.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.082 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.3 -37.51 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.701 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.4 mttt -69.27 -49.79 52.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.98 -27.2 12.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.609 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -99.61 -27.84 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.513 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 41.6 mt -102.54 23.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' LYS . 14.1 t30 -48.57 -27.54 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.106 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -96.26 142.57 24.75 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.51 -18.96 42.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.531 2.154 . . . . 0.0 112.76 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -38.52 90.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.399 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.87 8.3 26.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.79 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 6.6 mt -50.19 -53.44 44.07 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.0 Cg_exo -36.18 -30.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.49 2.793 . . . . 0.0 113.746 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.76 -44.92 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.329 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -57.9 -50.7 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.252 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -74.41 -25.13 59.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -50.5 53.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.716 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.01 -35.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -54.35 10.46 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 86.8 Cg_exo -46.87 -53.02 6.76 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.942 2.428 . . . . 0.0 113.515 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -67.0 -25.57 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.08 139.68 85.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.187 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -37.68 137.09 0.41 Allowed 'Trans proline' 0 CA--C 1.509 -0.752 0 C-N-CA 123.433 2.755 . . . . 0.0 113.213 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.19 -37.84 37.05 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.628 -1.623 . . . . 0.0 111.316 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -71.78 -45.51 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 0.0 109.864 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 33.4 m170 -66.24 -25.11 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.17 -52.84 63.15 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.66 -50.51 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.899 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.6 -36.33 73.85 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -58.05 -33.67 69.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -48.79 33.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.095 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -66.51 -16.83 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.531 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.333 -0.147 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.872 0.368 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.02 -52.07 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.32 71.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -58.0 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.15 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.409 HG21 HD13 ' B' ' 109' ' ' ILE . 59.5 mt -57.66 -55.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.27 -34.55 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.69 -41.25 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.112 0.482 . . . . 0.0 109.834 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.03 -33.91 68.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -31.3 69.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.706 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -82.16 -34.63 29.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.56 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 179.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.734 0.302 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -73.42 -31.97 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.54 -33.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.71 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.583 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -67.68 -36.19 80.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.731 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -46.71 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.588 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 30' ' ' LEU . 32.7 t80 -63.54 -40.07 96.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.71 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -62.92 -39.57 94.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 21.5 mmtt -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 17' ' ' ILE . 63.4 t -53.42 -38.55 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.606 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.16 -27.81 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.108 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -31.27 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.003 0.43 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -92.87 -48.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.195 -179.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.451 ' C ' ' H ' ' A' ' 19' ' ' ASN . 4.7 mp -90.08 -58.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.83 0.6 3.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.863 0.839 . . . . 0.0 110.058 -178.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.5 t-20 -95.86 169.31 10.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.495 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 96.3 m-20 -103.77 -47.27 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.65 75.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.398 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.06 -47.28 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.0 ptpt -66.54 -29.33 69.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -49.57 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.631 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -67.2 -47.2 71.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.41 -39.26 75.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD2' ' CZ ' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.59 -33.94 74.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.32 -35.7 68.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.071 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -63.31 -45.89 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 5.3 mt -63.23 -41.02 99.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.965 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -55.15 -40.3 70.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.324 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -49.19 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.339 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 37' ' ' MET . 61.7 t80 -56.25 -24.94 45.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -73.94 -47.67 35.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 t -77.25 -31.07 54.74 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.562 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.6 mmt 63.86 49.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.827 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -105.76 108.97 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.06 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.341 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.47 67.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -79.0 -44.6 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 33' ' ' TYR . 1.0 OUTLIER -56.29 -43.06 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.679 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 t -63.94 -50.04 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -52.98 41.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.234 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.65 -43.03 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ILE . 9.4 mt -52.63 -35.55 54.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.47 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 23.8 mmtp -70.78 -50.55 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.86 -26.73 10.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.63 -27.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.425 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 45.4 mt -103.62 24.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.01 -28.28 1.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.019 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.08 155.85 36.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.695 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.94 -22.74 35.5 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.602 2.202 . . . . 0.0 112.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -61.1 -35.96 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -88.14 14.26 9.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.713 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.485 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.5 mt -56.89 -46.71 99.83 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 90.8 Cg_exo -43.92 -25.81 1.17 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.849 2.366 . . . . 0.0 113.58 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -48.27 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' A' ' 50' ' ' ILE . 12.6 m-85 -52.91 -50.78 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -74.31 -24.77 59.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.64 59.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.567 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 32.2 mt -75.06 -35.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.02 9.93 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.0 Cg_exo -42.3 -53.68 3.51 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.816 2.344 . . . . 0.0 113.431 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.19 -26.44 60.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 66' ' ' ILE . 45.4 mt -67.2 130.31 93.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.449 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.7 Cg_exo -40.28 138.93 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.071 2.514 . . . . 0.0 112.885 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -49.96 -45.67 51.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.57 -1.65 . . . . 0.0 111.645 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.32 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.115 0.483 . . . . 0.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.8 m170 -67.58 -26.74 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -62.67 -46.76 86.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.032 0.444 . . . . 0.0 109.828 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.17 -55.6 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.945 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.4 -34.81 71.14 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.642 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.08 -33.42 72.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -72.69 -39.18 67.25 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.188 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -66.42 -24.71 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.806 -179.112 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.788 0.328 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -69.85 -31.03 68.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.65 -52.21 53.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -57.62 -58.18 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.01 74.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.9 mt -56.37 -55.52 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.59 -35.87 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.598 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -43.48 66.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.115 0.483 . . . . 0.0 109.866 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.404 ' CZ ' ' CD2' ' A' ' 27' ' ' TYR . 37.8 t80 -71.07 -33.77 70.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.563 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -60.34 -31.16 70.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.754 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.66 30.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.947 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.958 0.409 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -64.29 -31.75 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -52.49 -34.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 7.9 mtm180 -67.91 -41.22 83.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.533 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -31.82 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.422 ' CE1' HD23 ' A' ' 65' ' ' LEU . 15.6 t80 -75.98 -41.2 52.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 109.996 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -41.35 60.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.597 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 14.7 m170 -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.692 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.2 mmtp -59.24 -57.87 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.32 -37.65 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.689 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.09 -30.93 71.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.569 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -32.5 71.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.15 0.5 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 2.9 mt -82.95 -50.86 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.244 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -76.12 -56.93 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.0 111.669 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 65.1 4.23 2.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.359 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 17' ' ' ILE . 9.4 t30 -110.16 -171.46 1.84 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.6 -47.17 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.39 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -66.38 -46.89 75.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.624 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 16.1 ttmt -63.82 -31.56 72.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.188 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.05 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -67.27 -45.69 75.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.759 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.46 -44.14 84.59 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -60.06 -33.37 71.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 177.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.4 -32.83 66.71 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.155 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -69.78 -47.38 70.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.548 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.0 -33.78 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -46.33 75.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.543 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.7 ptm -69.61 -33.04 72.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD1' HD23 ' A' ' 42' ' ' LEU . 2.0 t80 -62.01 -43.01 99.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.527 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -72.65 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -77.57 -23.94 49.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.32 37.37 4.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.897 0.38 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.71 110.71 21.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 t -72.16 -25.46 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.14 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -78.98 -45.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.6 pp -63.19 -38.91 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.573 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 HG23 ' CE1' ' A' ' 74' ' ' TYR . 60.8 t -63.48 -43.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.598 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.35 -55.32 31.38 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.162 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.7 -43.11 94.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD2' HD12 ' A' ' 50' ' ' ILE . 9.8 mt -50.33 -43.58 54.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -65.86 -48.81 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.77 -27.12 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 t -98.8 -28.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 14.9 mt -101.7 23.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.7 p30 -46.94 -28.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -98.56 140.97 22.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.79 -23.0 47.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.638 2.225 . . . . 0.0 112.633 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -58.99 -36.42 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.2 mtt85 -87.94 16.67 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.808 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 14.0 mt -52.98 -47.38 95.78 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.9 Cg_exo -42.73 -28.98 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.76 2.306 . . . . 0.0 113.343 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -57.06 -33.57 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.148 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.45 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 22.0 m-85 -71.09 -46.74 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.8 m-20 -75.19 -27.78 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -50.83 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 15.1 mt -74.8 -34.6 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.254 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.538 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 31.6 ttt180 -43.6 -52.88 13.08 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 15.0 Cg_endo -57.9 -53.07 4.81 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.511 2.14 . . . . 0.0 113.529 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -67.41 -10.61 52.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.212 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.17 145.01 42.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.3 138.4 3.19 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.861 2.374 . . . . 0.0 113.188 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.12 -42.99 51.5 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 113.572 -1.649 . . . . 0.0 111.302 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -72.2 -37.9 69.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 109.705 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.6 m170 -67.25 -26.18 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.482 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.81 -50.89 71.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 109.958 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.53 -52.59 59.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.892 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.47 -33.7 70.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE1' HG23 ' A' ' 43' ' ' VAL . 53.9 t80 -61.11 -33.55 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.73 -40.43 66.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.133 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.33 -26.17 67.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.82 -179.149 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -72.8 -34.51 66.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.2 -50.52 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -34.41 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -58.06 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.02 -37.38 84.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.683 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.85 -55.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.812 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -35.23 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.729 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.01 -43.61 70.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 109.79 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.415 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 56.3 t80 -70.3 -33.83 72.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.537 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.75 -30.52 68.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.751 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.02 -35.26 29.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.743 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.764 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.53 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.32 -33.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.07 0.462 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -40.55 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.67 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -67.76 -39.13 84.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.731 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -72.53 -36.83 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.271 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -69.34 -43.66 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.19 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -43.06 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -61.03 -45.44 94.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.55 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.21 -53.26 60.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.39 -37.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.545 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -72.14 -27.47 62.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -69.74 -33.68 72.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.061 0.458 . . . . 0.0 110.568 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -91.54 -47.04 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.977 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.496 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 1.5 mp -81.76 -65.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 62.53 3.4 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.334 0.588 . . . . 0.0 111.892 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.496 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 7.4 m-20 -107.37 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.44 -42.75 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.26 95.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.192 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' CB ' HG21 ' A' ' 17' ' ' ILE . 3.4 mt-10 -67.64 -45.29 75.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -65.55 -33.09 75.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.146 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.48 -48.11 81.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.26 -49.35 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.688 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -39.36 75.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 2.4 m-85 -62.01 -34.26 75.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.53 66.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.261 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.77 -54.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.85 -38.02 77.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -44.29 93.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.445 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 mmm -71.05 -44.07 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.18 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CD1' HD22 ' A' ' 42' ' ' LEU . 9.9 t80 -56.4 -26.13 52.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.745 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -74.53 -42.74 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -62.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.81 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -65.91 -26.37 67.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.605 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 10.0 mmt 60.66 30.72 19.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.759 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.29 112.74 24.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 70' ' ' HIS . 20.8 t -77.02 -25.24 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.1 61.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.474 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -78.9 -44.34 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.028 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -64.65 -36.31 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.475 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.31 -44.83 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.463 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.57 44.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.975 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.0 -41.65 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -53.02 -39.87 63.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.795 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -66.79 -50.32 63.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.149 0.5 . . . . 0.0 110.23 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.3 mt -51.89 -26.64 10.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.541 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.6 t -98.48 -27.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.341 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 23.6 mt -101.17 22.2 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.055 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.38 150.28 36.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.6 -25.97 79.86 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.587 2.192 . . . . 0.0 112.579 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.14 17.62 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.807 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.8 -45.82 99.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.8 Cg_exo -47.56 -23.0 3.22 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.711 2.274 . . . . 0.0 113.519 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.96 -44.34 70.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.686 0.279 . . . . 0.0 111.499 -179.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CD2' ' OH ' ' A' ' 74' ' ' TYR . 88.4 m-85 -57.9 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.336 . . . . 0.0 111.244 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -74.9 -25.27 58.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.95 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.563 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.6 mt -75.07 -35.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.4 ttp180 -43.25 -53.43 11.08 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 87.6 Cg_exo -45.49 -53.23 5.72 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.255 . . . . 0.0 112.941 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -14.48 61.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.248 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.418 HG23 HD12 ' A' ' 66' ' ' ILE . 43.8 mt -82.82 135.45 45.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.065 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.3 Cg_exo -41.85 140.33 2.04 Favored 'Trans proline' 0 CA--C 1.51 -0.685 0 C-N-CA 123.109 2.539 . . . . 0.0 112.872 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.22 -45.01 53.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.774 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -46.82 74.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.12 0.486 . . . . 0.0 110.111 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.446 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 36.1 m170 -64.99 -28.09 69.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.424 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.97 -47.19 87.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.975 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 t -61.39 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.154 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.78 -36.14 69.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.837 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' OH ' ' CD2' ' A' ' 59' ' ' PHE . 66.3 t80 -59.61 -33.53 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -72.91 -37.06 67.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.286 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.53 -27.18 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.739 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.331 -0.203 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.83 -54.01 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.44 -52.0 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.77 -32.17 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -58.15 9.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -45.65 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 86.9 mt -56.61 -55.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.984 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -35.44 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.22 -41.92 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 109.902 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.498 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 3.0 t80 -72.3 -33.79 67.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.657 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.52 -31.87 70.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.734 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.21 -32.96 29.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.711 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.997 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -32.02 72.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.52 -35.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.06 0.457 . . . . 0.0 110.121 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -39.13 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.608 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -38.14 83.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.06 -41.31 67.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.413 ' CE1' HD22 ' A' ' 65' ' ' LEU . 11.8 t80 -68.36 -43.52 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.323 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -40.1 66.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -63.67 -46.06 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.779 0.323 . . . . 0.0 110.634 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.4 mmtp -59.53 -52.04 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' A' ' 26' ' ' LEU . 57.6 t -53.37 -37.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.777 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.47 -28.74 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.028 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.95 -32.68 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.999 0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -93.31 -43.6 8.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.406 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.479 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 2.7 mp -87.88 -62.78 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.171 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 61.08 3.62 0.72 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.299 0.571 . . . . 0.0 111.905 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.479 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -105.22 135.29 46.84 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.67 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.04 -51.66 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.18 92.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.717 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 50.2 mt-10 -68.38 -42.6 78.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.398 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 2.5 ttmp? -58.88 -28.9 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 -52.0 45.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.205 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -67.2 -32.99 74.42 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.154 -0.619 . . . . 0.0 111.463 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' ' HD1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -68.68 -48.07 64.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.28 -34.74 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.66 -53.82 41.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.594 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.07 -39.6 92.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.255 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -63.18 -40.16 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.557 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.08 72.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.934 0.397 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.44 ' CD1' HD21 ' A' ' 42' ' ' LEU . 6.0 t80 -59.66 -31.71 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.834 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -84.61 -30.28 25.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.1 -62.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -73.91 -21.69 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.434 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt 61.37 45.09 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.948 0.404 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.06 112.55 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.7 -23.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.92 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 0.0 110.427 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.95 -37.72 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.777 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -66.72 -39.01 87.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.261 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.5 t -65.37 -47.76 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.18 41.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.126 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -59.73 -40.92 89.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.939 0.399 . . . . 0.0 110.255 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 62' ' ' ILE . 11.0 mt -58.52 -29.76 66.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.4 mmtp -71.5 -50.81 27.78 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.71 -20.09 54.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.524 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG2' ' CD1' ' A' ' 25' ' ' TYR . 54.0 t -99.53 -29.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.199 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 27.6 mt -107.24 21.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.374 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.8 p-10 -50.25 -27.52 6.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.956 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.63 147.32 33.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.77 -27.84 79.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.473 2.116 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -59.97 -37.63 80.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.15 17.41 5.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.785 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.2 mt -61.45 -44.02 91.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 83.2 Cg_exo -46.19 -23.02 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.683 2.256 . . . . 0.0 113.382 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.89 -40.34 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.636 0.255 . . . . 0.0 111.486 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -61.85 -50.89 70.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 111.337 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.31 -28.2 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.62 -49.78 61.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 46' ' ' LEU . 5.5 mt -75.2 -34.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.558 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -42.92 -50.59 13.39 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 7.4 Cg_endo -49.68 -53.24 7.37 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.297 1.998 . . . . 0.0 112.916 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD22 ' CE1' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -73.68 -8.85 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 111.215 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 66' ' ' ILE . 38.1 mt -84.6 128.85 59.58 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.26 141.05 3.35 Favored 'Trans proline' 0 CA--C 1.509 -0.749 0 C-N-CA 122.996 2.464 . . . . 0.0 113.141 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -50.18 -46.56 54.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 1.1 ptpp? -67.18 -41.7 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.482 . . . . 0.0 109.98 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.428 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 49.5 m170 -66.61 -30.12 70.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.243 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.91 -45.76 93.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.07 -55.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.852 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.35 -35.18 69.59 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -59.8 -33.51 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -36.63 66.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.186 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -65.76 -30.36 71.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.702 0.287 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.59 -52.26 66.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -52.37 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.75 -33.55 73.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.64 -58.13 9.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.54 -41.92 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.91 -55.49 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.23 -35.08 79.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.91 -43.33 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 109.797 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 65.1 t80 -70.64 -34.24 71.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -29.75 69.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.742 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -35.29 29.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.562 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -61.07 -31.89 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -52.24 -33.48 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.225 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.36 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.669 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.4 ttp180 -67.86 -38.43 83.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.42 -47.71 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.474 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' CE1' HD22 ' A' ' 65' ' ' LEU . 24.0 t80 -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.171 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttm105 -71.64 -49.24 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 3.6 t-160 -59.26 -44.01 92.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.073 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -59.28 -53.77 54.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.5 t -58.05 -39.63 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 18' ' ' GLU . 35.4 t70 -72.99 -22.72 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' CD2' ' A' ' 11' ' ' HIS . 1.1 m-85 -69.33 -54.91 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.259 0.552 . . . . 0.0 110.086 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -64.93 -41.93 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.521 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG13 ' CD1' ' A' ' 16' ' ' LEU . 10.1 mt -88.37 -63.71 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 14' ' ' ASP . 27.3 tt0 68.1 3.68 3.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.187 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 17' ' ' ILE . 1.7 t-20 -102.95 163.56 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.774 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.04 -45.32 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.97 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.62 -45.05 88.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.453 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 9.1 ttmt -64.76 -32.96 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.143 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -47.31 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.31 -48.66 66.96 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -42.53 81.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 0.4 OUTLIER -60.32 -34.92 74.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.154 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -31.06 65.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.196 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 48.5 t -69.45 -54.33 20.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.8 -37.23 78.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.53 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.796 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.467 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 8.7 ptm -73.49 -30.26 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 42' ' ' LEU . 8.6 t80 -62.64 -41.58 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -67.99 -30.17 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.01 -59.58 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -74.97 -25.6 58.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.49 48.94 4.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -121.29 107.89 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.54 -25.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.323 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -25.47 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.435 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -78.9 -43.19 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 1.2 pp -65.61 -37.91 87.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.72 -42.64 92.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.41 -54.03 41.04 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.198 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.93 -44.53 97.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.6 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.36 -39.3 46.07 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ASN . 10.3 mttm -68.39 -49.5 59.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -52.03 -26.46 10.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.614 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.39 -27.81 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 24.2 mt -102.9 23.69 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.224 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -49.71 -27.44 4.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -100.21 144.25 28.05 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.16 -24.79 60.68 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.509 2.139 . . . . 0.0 112.61 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -56.51 -38.38 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.373 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.02 15.52 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.743 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.9 mt -53.77 -46.66 98.31 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 80.9 Cg_exo -42.42 -28.88 1.08 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.693 2.262 . . . . 0.0 113.373 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.412 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 1.1 mt -60.39 -41.74 94.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 111.138 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -60.23 -50.66 72.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 10.4 t70 -75.25 -27.27 59.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.88 -52.39 37.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.897 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.442 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 17.9 mt -74.91 -34.91 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.265 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -43.41 -54.03 10.55 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -52.07 -53.15 7.45 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.785 2.324 . . . . 0.0 114.03 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -68.0 -10.46 53.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.22 141.22 37.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.68 0.276 . . . . 0.0 111.052 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 93.1 Cg_exo -42.9 140.37 3.06 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 122.918 2.412 . . . . 0.0 113.146 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.01 -42.4 49.15 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.289 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -39.37 75.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.232 0.539 . . . . 0.0 109.638 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.409 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 41.2 m170 -66.13 -31.4 72.23 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.173 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.57 -49.2 78.3 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.014 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -58.44 -54.28 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.783 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.35 -33.1 67.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.514 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.76 -33.45 72.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -73.03 -34.67 66.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.282 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -65.73 -32.79 74.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.046 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -65.16 -40.86 94.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -59.92 -52.09 66.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.756 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.74 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -59.43 -58.1 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.26 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.68 -55.42 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -65.74 -33.7 76.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -46.91 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.085 0.469 . . . . 0.0 109.775 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 4.1 t80 -69.91 -33.9 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.551 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.49 -29.71 69.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.718 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.94 -35.15 29.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.643 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.885 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -31.99 72.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -52.56 -36.05 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.461 . . . . 0.0 110.303 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.62 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -37.76 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.78 -50.05 46.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 65' ' ' LEU . 53.1 t80 -65.51 -40.11 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.37 -41.18 73.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -64.2 -48.51 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 mptt -59.24 -54.09 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.99 0.424 . . . . 0.0 110.299 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.35 -37.0 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.577 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -70.34 -30.45 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.95 -32.81 71.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -90.38 -44.93 9.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.206 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.476 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 3.0 mp -85.23 -66.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 61.9 3.44 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.337 0.589 . . . . 0.0 111.968 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.476 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -103.36 -175.05 2.69 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.691 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -110.31 -49.29 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.64 83.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.29 -46.26 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.522 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -63.14 -32.87 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.96 -51.97 65.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.017 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 67.4 t80 -67.18 -45.03 78.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.879 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.44 -43.22 83.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.16 -33.75 72.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -72.33 -33.66 67.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.167 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.26 -46.77 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.381 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.43 -46.06 90.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.148 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -55.57 -32.3 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.385 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -51.17 26.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.449 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' MET . 4.2 t80 -56.4 -24.39 44.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -82.0 -42.97 18.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.889 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -62.46 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.942 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 37' ' ' MET . 8.2 t -76.63 -35.43 58.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.009 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.2 mmt 60.96 53.28 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.87 112.44 18.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.0 t -57.65 -22.74 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.195 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.55 62.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.244 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.59 -50.61 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.526 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -56.31 -46.44 79.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.693 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.58 -44.7 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 2.4 m-20 -61.66 -47.01 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 50' ' ' ILE . 10.5 mt -50.47 -42.57 54.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.7 mmtt -64.75 -50.48 66.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.332 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.02 -26.3 10.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.678 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.22 -27.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 7.5 mt -103.41 23.01 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.355 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.83 -29.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.894 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.59 144.06 27.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.637 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.32 -23.07 44.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.521 2.148 . . . . 0.0 112.677 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -36.89 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.397 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.11 18.92 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.877 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.4 mt -57.26 -46.23 99.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 79.4 Cg_exo -42.95 -26.87 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.791 2.327 . . . . 0.0 113.426 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' HD11 ' A' ' 50' ' ' ILE . 5.7 mt -55.41 -36.58 66.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.277 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.65 -51.01 64.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.143 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 t70 -75.11 -28.84 60.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.69 59.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.978 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 7.0 mt -74.97 -35.45 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -43.35 -53.34 11.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 98.2 Cg_exo -42.55 -54.09 3.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 113.573 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 4.3 pp -74.49 -23.77 58.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.716 0.294 . . . . 0.0 111.067 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.9 mt -68.45 133.22 91.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.83 139.8 13.74 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 122.821 2.347 . . . . 0.0 112.791 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.1 -45.15 52.52 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 113.775 -1.557 . . . . 0.0 111.66 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -65.4 -50.7 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.145 0.498 . . . . 0.0 109.877 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 11.7 m170 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.35 -46.36 90.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.066 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.36 -55.04 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.102 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -34.09 69.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.97 -33.78 73.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.39 -35.66 65.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.327 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.9 -33.59 76.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -47.29 -39.75 15.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -52.21 66.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -58.12 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.45 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.25 -55.55 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -64.25 -37.7 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -40.62 66.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 109.837 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -72.4 -34.54 67.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.657 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.26 69.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -82.15 -33.79 29.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.699 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.044 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.01 64.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.5 t -52.39 -35.18 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.39 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.9 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -67.75 -35.69 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.913 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.12 -50.13 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 65' ' ' LEU . 26.0 t80 -62.19 -37.01 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.228 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -74.19 -49.36 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.09 -34.36 77.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.2 mmtm -63.73 -54.99 26.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.372 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.38 -37.48 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -30.53 68.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -30.34 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.18 0.514 . . . . 0.0 110.386 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -87.1 -52.57 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.051 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.407 ' C ' ' H ' ' A' ' 19' ' ' ASN . 10.5 mm -84.41 -62.94 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.601 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 67.58 3.9 3.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.395 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.0 t-20 -105.35 178.88 4.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.37 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -44.24 84.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.194 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.1 76.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.841 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -67.15 -46.46 73.98 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.24 -43.76 83.23 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.77 -33.66 71.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.337 178.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.88 -49.58 79.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.643 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.39 -39.84 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -36.02 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -49.85 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.674 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CG ' ' CD1' ' A' ' 42' ' ' LEU . 29.4 t80 -59.09 -25.47 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CG ' HD13 ' B' ' 109' ' ' ILE . 16.5 t60 -84.8 -34.5 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.736 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -78.38 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.259 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -74.42 -27.9 60.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.655 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.4 mmt 63.16 51.39 2.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.731 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.32 112.37 17.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.53 -25.16 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.12 -24.02 62.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.29 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -74.92 -54.73 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -55.21 -44.98 75.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.571 179.616 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.5 -46.18 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.71 -57.27 20.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -40.99 97.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' ILE . 9.9 mt -54.34 -37.94 65.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' ASN . 13.8 mmtp -70.19 -50.76 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.12 -27.6 14.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.058 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.16 -28.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 41.7 mt -105.12 25.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.184 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -46.77 -29.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.73 152.89 38.78 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.84 -20.95 38.74 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.773 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -34.91 76.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.252 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 50' ' ' ILE . 11.1 mtt85 -88.07 16.46 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.651 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.499 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.9 mt -55.93 -44.92 99.92 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.2 Cg_exo -43.91 -24.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.715 2.277 . . . . 0.0 113.702 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -53.06 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.376 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -51.59 -49.15 62.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.1 t70 -74.97 -24.99 58.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.87 -51.61 46.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.686 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 10.1 mt -74.97 -34.61 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.206 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.561 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 2.0 ttt180 -42.83 -51.25 12.6 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.5 Cg_endo -53.85 -53.44 6.44 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.291 1.994 . . . . 0.0 113.126 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -73.87 -8.0 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 66' ' ' ILE . 9.4 mt -81.98 134.59 49.47 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.533 0.206 . . . . 0.0 110.772 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -40.55 136.32 1.84 Allowed 'Trans proline' 0 CA--C 1.509 -0.741 0 C-N-CA 123.135 2.557 . . . . 0.0 112.96 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.28 -44.58 53.92 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.604 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 17.3 pttt -67.09 -46.76 73.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m170 -64.55 -28.22 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.527 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.7 -50.47 73.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.049 0.452 . . . . 0.0 109.845 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.43 -52.6 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.742 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.86 -33.94 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.567 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -60.06 -33.92 72.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.18 -36.22 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.392 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -65.9 -32.74 74.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.738 0.304 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -60.97 -52.29 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.64 -52.07 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -32.15 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.8 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -58.06 10.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.52 -42.7 67.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.423 HD13 ' CG ' ' A' ' 34' ' ' HIS . 85.6 mt -57.01 -55.33 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.856 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -63.11 -35.61 80.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -40.06 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' TYR . . . . . 0.484 ' CD1' ' CZ ' ' A' ' 27' ' ' TYR . 21.8 t80 -72.34 -34.13 67.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.87 -31.52 69.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.817 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -34.15 29.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.617 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -88.02 95.99 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.07 -46.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -60.57 -31.75 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.17 -33.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.076 0.465 . . . . 0.0 110.061 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.9 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.788 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -67.9 -42.16 81.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 23.3 mt-10 -70.42 -31.43 68.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.26 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' CE1' HD22 ' A' ' 65' ' ' LEU . 68.6 t80 -76.13 -43.43 43.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.329 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -75.42 -34.75 61.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 12.0 t-160 -71.74 -35.59 70.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.94 -54.28 19.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 38.2 t -53.65 -37.64 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.18 -29.86 65.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.655 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.52 66.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.604 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -86.69 -51.61 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.237 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 19' ' ' ASN . 21.0 mm -77.09 -54.08 13.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.67 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 64.13 4.07 1.95 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.447 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 17' ' ' ILE . 1.7 t30 -104.79 171.15 7.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.08 -49.62 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -40.97 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -66.82 -46.96 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -32.08 73.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.181 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.27 -50.9 69.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.773 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -67.26 -46.46 73.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.641 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.4 -40.99 79.43 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.8 m-85 -61.34 -32.42 72.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.52 -33.96 69.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.909 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.97 -47.7 92.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.24 -43.79 98.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.256 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -33.73 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.378 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -52.2 20.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.336 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CG ' ' CD1' ' A' ' 42' ' ' LEU . 32.4 t80 -56.16 -23.54 35.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -77.49 -46.81 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.839 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.864 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -67.58 -32.2 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.993 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.3 mmt 59.04 49.35 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 0.0 110.719 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -124.35 101.36 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.35 -29.48 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.452 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -25.12 66.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.91 -43.01 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.573 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' CD1' ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -58.13 -46.13 86.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.746 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.36 -44.56 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.207 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.36 -56.79 23.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.13 -49.15 77.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.855 0.359 . . . . 0.0 110.802 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ILE . 10.3 mt -50.75 -33.77 24.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.7 mtpt -70.88 -50.79 31.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.272 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mt -52.88 -26.05 13.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 t -101.06 -28.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 46.0 mt -104.84 24.9 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.312 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -47.61 -28.25 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.1 146.45 32.32 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.752 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.78 -26.17 79.05 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.564 2.176 . . . . 0.0 112.597 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.2 m -55.51 -38.04 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.86 3.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.761 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.27 -46.9 99.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 93.6 Cg_exo -43.73 -26.94 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.851 2.367 . . . . 0.0 113.475 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.1 -33.89 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -67.08 -50.6 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.0 -26.09 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -48.9 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.63 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 8.9 mt -75.01 -35.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -53.11 11.5 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 89.3 Cg_exo -41.09 -53.68 2.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.851 2.367 . . . . 0.0 113.417 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD22 ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -74.25 -24.95 59.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HG21 ' HD2' ' A' ' 67' ' ' PRO . 44.6 mt -67.3 132.98 93.25 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.8 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' HG21 ' A' ' 66' ' ' ILE . 92.2 Cg_exo -39.73 137.63 1.07 Allowed 'Trans proline' 0 CA--C 1.51 -0.7 0 C-N-CA 122.887 2.391 . . . . 0.0 113.231 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.06 -42.87 50.68 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.663 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -44.21 70.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.095 0.474 . . . . 0.0 110.155 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 9.1 m170 -67.11 -25.5 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.457 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.82 -50.86 71.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.042 0.449 . . . . 0.0 109.935 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.07 -52.93 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.937 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -58.06 -34.43 70.11 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 59.1 t80 -61.57 -33.64 74.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -73.11 -36.5 66.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.279 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.83 -32.28 73.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt -78.93 -37.76 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.024 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.2 p -85.74 141.59 36.18 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.48 -31.15 7.4 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 p30 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -141.73 141.56 33.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.51 47.11 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -156.16 -45.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -72.83 -31.28 64.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -52.27 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.702 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -63.41 -32.18 73.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.5 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.25 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.424 HG23 HD13 ' B' ' 109' ' ' ILE . 62.7 mt -56.8 -55.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.189 0.519 . . . . 0.0 109.858 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 41.1 t80 -71.7 -34.71 69.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.374 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.61 -29.77 68.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.764 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.06 -36.04 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.636 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 13.9 mt -67.66 -36.35 75.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.79 36.78 27.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -98.48 45.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.15 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -67.86 -32.21 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -52.67 -39.78 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 0.0 110.095 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.9 67.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.81 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -39.64 87.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -49.51 40.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.45 -43.27 97.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -71.5 -45.72 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.804 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.0 tmtp? -59.3 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.299 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.43 -37.41 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.725 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -72.89 -29.07 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -29.49 66.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.098 0.475 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -86.86 -52.19 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.359 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' ' 19' ' ' ASN . 22.6 mm -74.45 -56.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.629 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 64.81 4.23 2.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.369 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.4 t-20 -107.97 -172.23 2.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -48.02 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.99 85.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -46.92 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -64.61 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.745 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -67.2 -47.23 71.54 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.681 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.29 -41.37 79.67 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' B' ' 112' ' ' TYR . 1.2 m-85 -61.18 -34.13 74.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.39 -33.42 67.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.376 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 47.5 t -66.7 -49.29 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.77 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.17 -35.16 79.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.227 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.15 -45.56 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.433 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 1.1 ptm -71.8 -28.93 63.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.566 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' CD1' HD22 ' A' ' 42' ' ' LEU . 4.2 t80 -67.59 -39.01 84.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.712 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -66.21 -30.7 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.34 -62.07 1.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.512 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 t -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.78 32.21 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.652 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 1.9 t0 -100.69 101.56 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 HG11 ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -64.85 -30.03 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.494 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -26.71 64.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 38' ' ' ASP . 91.8 t -79.03 -47.96 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 33' ' ' TYR . 1.2 pp -59.59 -38.38 81.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 74' ' ' TYR . 57.6 t -63.75 -40.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.95 -53.2 48.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.755 . . . . 0.0 111.952 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.32 -45.42 91.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.231 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 10.3 mt -52.14 -36.27 50.94 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.422 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.5 mttm -68.0 -50.24 56.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.054 0.454 . . . . 0.0 110.395 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -54.84 -26.18 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 t -101.11 -28.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 3.7 mp -110.2 27.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.458 0.647 . . . . 0.0 110.773 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 t-20 -48.96 -27.76 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -94.59 139.56 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.835 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.14 -24.06 47.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.475 2.117 . . . . 0.0 112.482 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -56.93 -36.28 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HB3' ' CG1' ' A' ' 50' ' ' ILE . 14.1 mtt-85 -87.96 12.03 14.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.637 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.7 mt -46.65 -49.37 46.77 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.3 Cg_exo -42.03 -28.18 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.781 2.32 . . . . 0.0 113.319 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.37 -35.4 73.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 111.28 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.69 -45.72 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 5.7 t0 -75.03 -26.36 59.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.57 -48.03 68.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 12.9 mt -75.02 -34.67 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.991 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.9 ttm180 -42.97 -51.05 13.24 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -53.38 -53.32 6.83 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.272 1.981 . . . . 0.0 113.233 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -73.74 -7.37 51.84 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.375 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.1 mt -85.34 135.61 38.68 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.652 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.416 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 92.9 Cg_exo -41.6 137.06 2.79 Favored 'Trans proline' 0 CA--C 1.508 -0.788 0 C-N-CA 122.907 2.405 . . . . 0.0 112.97 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.11 -42.27 50.09 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 113.752 -1.567 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -71.83 -41.85 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.728 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 14.9 m170 -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.428 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.97 -50.43 73.41 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.045 0.45 . . . . 0.0 110.14 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.17 -54.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.87 -36.32 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 43' ' ' VAL . 34.1 t80 -60.15 -33.67 72.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -35.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.138 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -65.82 -33.68 76.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mt -76.0 -41.69 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -62.88 111.15 4.32 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.54 165.42 30.55 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.09 21.71 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.125 0.488 . . . . 0.0 111.207 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.75 29.34 6.69 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.04 -39.18 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -55.84 -49.77 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -52.03 67.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -32.2 72.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -58.14 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.59 63.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -58.05 -55.45 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.1 -33.56 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.415 ' O ' HG12 ' B' ' 115' ' ' ILE . 0.6 OUTLIER -55.06 -45.65 75.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.434 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -67.72 -36.16 80.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.61 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.63 -27.54 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -81.98 -37.68 26.28 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.683 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 111' ' ' GLU . 41.0 mm -57.53 -40.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 58.81 37.44 24.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.876 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.778 0.323 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -99.41 94.82 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -174.73 -40.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -71.39 -31.97 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.9 t -52.45 -34.65 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.184 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.37 66.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.639 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -36.66 81.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.02 -49.99 39.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.401 ' CE2' HD23 ' A' ' 30' ' ' LEU . 27.7 t80 -66.18 -34.68 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -43.77 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -68.47 -44.6 74.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -59.19 -58.0 10.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.339 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.9 t -53.82 -37.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.497 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.39 -27.73 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.725 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.02 70.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -91.46 -51.04 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.943 -179.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.553 ' C ' ' H ' ' A' ' 19' ' ' ASN . 1.8 mp -70.2 -50.57 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.89 3.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.262 0.553 . . . . 0.0 112.424 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.553 ' H ' ' C ' ' A' ' 17' ' ' ILE . 98.6 m-20 -113.48 141.5 47.04 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.705 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.29 -50.84 19.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.11 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.059 0.457 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.68 -46.81 88.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.7 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -62.88 -30.84 71.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.298 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.18 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -67.2 -46.9 72.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.762 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.42 -42.01 81.51 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD2' ' CE2' ' B' ' 112' ' ' TYR . 1.1 m-85 -60.44 -34.34 73.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.24 -32.75 66.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.154 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.18 -50.69 78.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD23 ' CE2' ' A' ' 9' ' ' PHE . 1.3 mt -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.33 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -37.89 80.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.518 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.77 -34.19 52.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.351 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.56 -33.37 72.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.572 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -67.25 -34.66 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.23 -54.32 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 t -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.85 40.53 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 111.07 12.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -57.67 -24.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.61 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.408 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -78.8 -45.75 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.665 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.0 -41.24 96.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.192 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 47.9 t -64.76 -49.55 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.36 -43.11 57.58 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.96 -58.47 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' CE1' ' A' ' 59' ' ' PHE . 1.4 pp -58.49 -23.6 58.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.52 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -65.61 -50.96 63.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.4 -27.23 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.532 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.1 -25.65 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.128 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.62 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 6.0 mt -115.25 26.13 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.261 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.4 t-20 -45.01 -25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.2 149.52 36.32 Favored Pre-proline 0 C--N 1.334 -0.105 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.589 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.74 -20.62 52.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.644 2.229 . . . . 0.0 112.87 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -34.77 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.296 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' HB3' HG12 ' A' ' 50' ' ' ILE . 67.9 mtt85 -87.98 11.67 15.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.794 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 7.3 mt -50.94 -46.25 87.71 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 18.7 Cg_exo -31.9 -32.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.535 2.823 . . . . 0.0 115.028 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.427 ' CB ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -54.69 -33.39 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.251 -0.28 . . . . 0.0 111.703 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CE1' HD12 ' A' ' 46' ' ' LEU . 59.3 m-85 -64.51 -50.92 65.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.738 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 4.0 t70 -75.27 -28.97 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 0.0 110.599 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.654 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.17 -50.38 54.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.926 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.0 mt -76.01 -35.72 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -47.97 -36.41 10.33 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 17.4 Cg_exo -68.18 -52.89 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.374 2.05 . . . . 0.0 112.922 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 pp -62.72 -33.58 75.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.051 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 67' ' ' PRO . 0.7 OUTLIER -66.04 145.04 99.0 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 63.1 Cg_exo -37.75 137.53 0.4 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 122.915 2.41 . . . . 0.0 113.413 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' HA ' ' HG2' ' A' ' 71' ' ' GLN . 4.9 mt -50.04 -31.95 14.23 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.546 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -71.9 -37.69 70.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.748 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.6 pt20 -60.33 -39.2 86.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.921 0.391 . . . . 0.0 110.114 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 2.9 t -63.04 -57.2 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.71 -32.45 65.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.35 -36.73 76.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.34 64.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.605 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -65.89 -33.48 75.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.803 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.5 -38.62 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 110.788 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -97.87 135.93 21.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.804 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.28 145.31 53.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.425 2.083 . . . . 0.0 112.468 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.07 140.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.36 25.01 15.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.7 -40.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -53.47 -51.79 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.02 -52.2 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.935 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -32.31 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -61.98 -58.26 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.126 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -45.94 56.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.9 mt -56.48 -55.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -65.32 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.68 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 27' ' ' TYR . 54.8 t80 -71.95 -33.82 68.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.611 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -31.66 70.25 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.13 -33.69 29.53 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.575 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.49 -69.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.896 0.379 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 60.6 58.16 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -156.17 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -131.83 -42.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -32.22 54.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.426 HG13 ' CD1' ' B' ' 104' ' ' TYR . 40.4 t -52.58 -41.81 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.224 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.07 66.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.729 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -67.71 -39.38 84.37 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.3 -48.72 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD1' HD21 ' A' ' 65' ' ' LEU . 73.8 t80 -64.79 -39.17 93.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -73.4 -43.2 61.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.852 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -67.18 -41.83 85.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.69 -57.03 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 110.446 179.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.6 t -53.39 -37.34 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.632 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.73 -28.17 63.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.587 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.59 -31.59 69.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.439 . . . . 0.0 110.418 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -89.63 -51.54 5.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.059 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 19' ' ' ASN . 6.5 mt -85.55 -59.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.493 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.55 3.7 3.49 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.046 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 17' ' ' ILE . 85.6 m-20 -106.75 161.3 14.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.73 -39.57 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.25 -54.04 50.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.013 0.435 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.24 -45.81 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.439 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -30.99 71.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.143 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -52.41 64.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.892 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -67.15 -44.54 79.53 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.585 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.59 -41.74 81.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.4 m-85 -61.26 -32.38 72.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -35.5 71.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.885 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.59 -48.45 88.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.376 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.29 -37.58 86.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.889 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -55.72 -41.8 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.267 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.8 mmm -64.83 -49.98 68.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 37' ' ' MET . 12.3 t80 -56.36 -23.05 34.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -81.76 -46.13 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.52 -62.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.979 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 t -77.82 -38.25 46.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.904 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.36 51.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -114.78 109.62 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.001 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.8 t -62.0 -21.64 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.298 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.68 -29.41 61.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.05 -38.46 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.616 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD13 ' CG ' ' A' ' 33' ' ' TYR . 1.2 mt -65.42 -45.17 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.19 -41.88 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.78 -55.69 29.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.643 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.47 -44.47 97.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' HD13 ' A' ' 50' ' ' ILE . 11.8 mt -50.52 -42.7 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.3 mttm -66.33 -49.52 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.609 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.8 -26.37 9.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.28 -28.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.28 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 11.9 mt -101.43 23.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.19 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.5 m120 -46.49 -29.62 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.968 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -101.83 144.94 29.59 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.46 -24.39 52.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.508 2.139 . . . . 0.0 112.617 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.2 p -58.39 -38.25 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -88.02 14.16 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.637 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.6 mt -53.23 -52.5 65.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.98 -27.73 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.475 2.783 . . . . 0.0 113.68 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -53.72 -33.37 55.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 111.224 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.44 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 18.1 m-85 -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.562 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.4 OUTLIER -75.13 -21.85 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.631 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.18 -51.45 45.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.523 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 8.7 mt -76.18 -35.92 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.51 ' CG ' ' HD3' ' A' ' 64' ' ' PRO . 11.3 ptt180 -46.34 -37.2 7.53 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.631 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 47.6 Cg_exo -58.01 -52.88 5.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.072 1.848 . . . . 0.0 112.482 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -72.11 -19.33 61.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 179.531 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.0 mt -73.23 134.17 80.51 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.03 135.16 8.15 Favored 'Trans proline' 0 CA--C 1.509 -0.729 0 C-N-CA 122.766 2.311 . . . . 0.0 112.868 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.26 -26.78 5.09 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.66 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -87.2 -34.23 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -73.53 -32.62 64.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.686 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 3.0 pt20 -65.27 -37.24 86.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.6 t -64.15 -59.59 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -58.57 -36.11 73.44 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -57.14 -33.48 67.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 79' ' ' PRO . 60.8 m-20 -72.89 -42.19 63.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.919 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.78 -16.22 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.21 -38.77 11.92 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.588 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -100.52 -74.84 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.259 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 30.2 Cg_endo -65.54 123.06 10.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.376 2.05 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.014 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.7 -159.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -90.13 19.95 4.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -63.27 -36.01 82.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.799 0.333 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.426 ' CD1' HG13 ' A' ' 5' ' ' VAL . 21.5 m-85 -60.24 -36.07 76.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.11 -52.24 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -62.19 -32.18 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -57.99 10.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.08 72.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.29 -55.47 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -65.72 -38.87 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.99 -40.06 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 3.1 t80 -71.9 -33.92 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.606 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.97 -32.37 69.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.781 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -82.03 -34.47 29.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 20.0 mt -69.44 -33.73 58.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.36 53.52 2.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.984 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.55 43.0 8.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -113.6 -37.58 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.88 -31.68 70.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.16 -33.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.268 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.04 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.648 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -35.99 79.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.48 -50.0 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.487 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -59.48 -42.14 91.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -48.26 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.807 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -59.15 -43.29 92.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.56 -53.93 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.467 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.3 t -53.38 -37.52 29.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -69.67 -29.04 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -32.65 71.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.07 0.462 . . . . 0.0 110.551 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 3.8 mt -82.92 -51.29 7.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.195 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 19' ' ' ASN . 23.5 mm -75.63 -55.81 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.5 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 64.38 4.22 2.12 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.445 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' A' ' 17' ' ' ILE . 24.5 t30 -105.82 174.39 5.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.25 -52.49 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.04 74.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.24 -46.84 78.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -61.54 -32.67 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.318 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -62.28 -51.58 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.18 -43.14 82.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -46.61 83.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE2' ' CD1' ' B' ' 112' ' ' TYR . 0.3 OUTLIER -60.01 -31.35 69.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -72.46 -33.24 66.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.26 -49.36 76.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.568 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.36 -37.05 85.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -45.85 87.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.315 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.168 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.407 ' CD1' HD22 ' A' ' 42' ' ' LEU . 6.9 t80 -63.05 -34.66 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.634 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -75.02 -30.39 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.22 -62.21 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.47 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -72.64 -26.39 61.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.522 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.74 33.36 12.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 0.0 110.658 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -113.62 113.26 24.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.89 -22.85 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.59 -27.01 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.972 0.415 . . . . 0.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.4 t -78.38 -43.44 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD22 ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -63.52 -39.64 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.21 -40.9 86.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.3 -52.45 49.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.141 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.53 -47.25 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.508 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' CD2' HD12 ' A' ' 50' ' ' ILE . 9.6 mt -50.56 -44.39 56.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -62.76 -50.44 71.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.592 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.87 -26.69 10.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.456 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.28 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.163 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 7.1 mt -101.9 22.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.95 -30.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.57 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.82 -24.96 74.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.654 2.236 . . . . 0.0 112.625 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -38.41 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.606 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.95 15.13 7.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.947 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.8 mt -56.99 -45.86 99.92 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.8 Cg_exo -43.8 -26.92 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.818 2.346 . . . . 0.0 113.515 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.85 -41.3 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 111.263 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -61.3 -50.87 71.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -75.19 -26.66 59.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.92 -50.04 58.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.629 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 16.8 mt -75.12 -35.44 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 5.4 ttt85 -42.93 -51.02 13.15 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 91.4 Cg_exo -41.18 -54.19 2.69 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.554 2.169 . . . . 0.0 113.622 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -74.58 -30.48 61.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.7 mt -56.59 135.04 77.62 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 84.6 Cg_exo -45.09 140.63 7.25 Favored 'Trans proline' 0 CA--C 1.508 -0.791 0 C-N-CA 122.82 2.347 . . . . 0.0 113.026 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.13 -46.3 53.74 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.622 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.83 70.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.214 0.531 . . . . 0.0 109.876 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 23.1 m170 -68.32 -29.29 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.143 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.26 -53.48 57.76 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.053 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.48 -53.25 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.061 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -57.33 -33.98 68.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.694 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.7 t80 -60.57 -33.64 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.92 -41.69 64.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.333 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.44 -22.32 66.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.677 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.0 -23.96 16.03 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.426 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -50.46 -54.3 36.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 111.347 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' A' ' 78' ' ' THR . 50.4 Cg_exo -52.16 150.66 18.7 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.914 2.41 . . . . 0.0 112.272 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -115.69 140.02 49.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 60.95 32.52 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.35 -41.81 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.69 -33.82 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 mt -59.44 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -58.92 -35.19 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.61 -58.04 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.416 HG23 HD12 ' B' ' 109' ' ' ILE . 57.5 mt -57.08 -55.43 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -35.6 79.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.552 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -42.65 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.154 0.502 . . . . 0.0 109.782 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.511 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 70.1 t80 -70.6 -33.99 71.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.592 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.93 -30.33 68.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.735 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.06 -35.42 28.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.684 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 20.8 mt -66.32 -45.38 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.0 63.88 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.808 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.78 31.77 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -77.39 -31.26 54.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -63.24 -32.0 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 t -52.24 -35.61 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.25 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.668 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -67.7 -38.49 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.47 -50.06 42.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.47 -41.21 98.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -44.22 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.73 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.415 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 7.7 m170 -59.74 -45.41 92.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.751 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.22 -47.06 86.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.936 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.1 t -53.73 -49.87 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.172 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.2 p30 -72.98 -17.42 61.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.76 -37.89 76.56 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.29 0.566 . . . . 0.0 109.957 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -93.53 -46.89 7.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.004 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.527 ' C ' ' H ' ' A' ' 19' ' ' ASN . 2.5 mp -68.57 -52.6 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 56.05 3.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.248 0.547 . . . . 0.0 112.03 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.9 t30 -110.67 -165.74 1.02 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.28 -47.25 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.74 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' CB ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -64.6 -46.93 80.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.844 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -62.47 -33.53 75.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.256 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -47.91 82.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 109.957 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -67.1 -49.04 66.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.839 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.4 -41.58 80.56 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' B' ' 112' ' ' TYR . 3.6 m-85 -61.02 -34.28 74.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -32.77 66.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.91 -54.31 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.589 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.42 -39.29 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.179 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -60.34 -41.72 94.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.306 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.1 ttp -72.64 -38.86 67.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.307 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 37' ' ' MET . 8.2 t80 -62.33 -25.18 67.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.733 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -80.41 -35.84 34.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.487 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -70.92 -30.41 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.458 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.7 38.83 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -109.08 110.77 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 t -73.27 -25.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.87 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -78.98 -46.1 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.5 pp -61.95 -40.16 94.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.549 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.26 -43.98 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -51.73 56.41 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.131 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -61.74 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 50' ' ' ILE . 10.5 mt -51.03 -42.52 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.9 mtpp -66.53 -49.17 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.84 -26.69 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.07 -27.57 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.372 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 14.8 mt -102.83 23.42 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.0 m120 -47.45 -28.96 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -97.3 154.16 38.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.35 -20.1 49.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.615 2.21 . . . . 0.0 112.87 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.312 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 10.54 18.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.729 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.4 mt -52.04 -46.7 93.0 Favored Pre-proline 0 CA--C 1.533 0.317 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -43.58 -25.36 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.775 2.317 . . . . 0.0 113.732 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -56.08 -50.04 72.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 111.326 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 50' ' ' ILE . 35.3 m-85 -54.8 -50.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -74.02 -28.57 61.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.529 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.6 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.376 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 3.7 mt -74.89 -35.5 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.374 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.528 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.33 -53.06 11.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 88.1 Cg_exo -41.14 -53.75 2.87 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.674 2.25 . . . . 0.0 113.366 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.27 -24.71 59.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 179.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 85.0 mt -67.99 128.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.4 140.54 8.32 Favored 'Trans proline' 0 CA--C 1.508 -0.804 0 C-N-CA 122.863 2.375 . . . . 0.0 113.105 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.16 -43.34 52.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.28 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -71.11 -41.66 70.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.298 0.57 . . . . 0.0 109.684 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -64.38 -29.01 70.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.239 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.65 -45.12 95.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.991 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -61.35 -54.68 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.845 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.78 -34.27 71.26 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.44 -33.63 71.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -42.48 62.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -66.31 -27.28 67.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.452 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mt -87.45 -28.11 22.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.892 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.413 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -47.33 -55.79 14.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 -179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 78' ' ' THR . 73.0 Cg_endo -79.24 -175.95 3.01 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.975 2.45 . . . . 0.0 112.408 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.86 142.74 50.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 60.92 43.22 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -62.95 -47.9 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -60.0 -36.54 77.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -52.16 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.671 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -60.18 -32.03 70.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.64 -58.09 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.39 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 110.903 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.45 -54.58 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -34.34 77.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.47 -45.44 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 109.76 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.506 ' CE1' ' CD2' ' A' ' 27' ' ' TYR . 44.1 t80 -69.28 -33.86 73.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.642 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.92 -30.31 68.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.805 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -34.89 29.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.31 -33.85 65.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.6 48.02 1.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 mtt . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.11 31.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 -30.92 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -71.0 -31.92 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -52.45 -35.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.974 0.416 . . . . 0.0 110.254 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.72 -39.18 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.595 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -39.18 84.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.3 -49.04 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.343 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -62.22 -39.71 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -49.83 47.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.672 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 4.0 t-160 -59.79 -40.87 89.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.41 -46.53 88.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.117 179.368 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.49 -51.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.1 p30 -73.21 -16.68 61.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -36.77 76.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.263 0.554 . . . . 0.0 110.095 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -93.42 -51.13 5.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.888 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' A' ' 19' ' ' ASN . 3.1 mp -65.85 -52.95 43.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.46 3.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 111.806 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 17' ' ' ILE . 3.0 t30 -107.18 -165.18 1.04 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -124.06 -51.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.32 74.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.18 -46.79 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.18 -33.51 75.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -62.42 -47.9 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.727 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 57.6 t80 -67.16 -47.92 69.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.889 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.29 -42.5 81.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 0.8 OUTLIER -60.79 -34.36 74.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.64 -32.28 65.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.423 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.29 -54.31 32.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -69.82 -38.58 76.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.678 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -37.46 57.6 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' MET . 11.1 t80 -63.99 -32.4 73.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -64.03 -39.76 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -62.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -65.79 -28.56 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.553 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 17.0 mmt 61.51 32.28 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -102.38 111.67 24.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 39.4 t -73.98 -24.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.216 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.85 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.97 -48.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 33' ' ' TYR . 2.3 pp -61.58 -38.25 86.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG23 ' CD2' ' A' ' 74' ' ' TYR . 99.0 t -61.55 -41.41 90.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.438 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.62 55.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.205 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.425 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 47.8 m-20 -60.67 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.853 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 10.1 mt -50.45 -42.73 54.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.585 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.91 -50.48 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 0.0 110.57 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -26.74 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.33 -27.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 2.7 mp -109.99 27.44 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.447 0.642 . . . . 0.0 111.004 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -50.33 -26.24 4.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -95.63 155.98 37.96 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.71 -21.86 33.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.679 2.253 . . . . 0.0 112.764 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -60.57 -36.64 78.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 10.48 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.552 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 4.0 mt -44.68 -56.76 7.89 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 5.7 Cg_exo -38.26 -30.45 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.388 2.725 . . . . 0.0 113.348 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' CD2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.63 -33.3 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.642 0.258 . . . . 0.0 111.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 50' ' ' ILE . 20.6 m-85 -71.69 -50.68 28.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 11.2 t0 -73.58 -22.1 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.06 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.525 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.0 mt -75.15 -35.31 34.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -42.89 -51.91 11.99 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 85.4 Cg_exo -41.07 -53.75 2.83 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.806 2.337 . . . . 0.0 113.594 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -74.49 -26.22 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.92 134.37 96.04 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.786 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 82.3 Cg_exo -44.34 138.34 7.34 Favored 'Trans proline' 0 CA--C 1.509 -0.738 0 C-N-CA 122.736 2.291 . . . . 0.0 113.118 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.26 -37.93 38.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.343 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -73.11 -45.06 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 0.0 109.718 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.3 m170 -64.6 -24.83 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.18 -50.18 72.83 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.002 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.75 -53.96 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.103 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.64 -35.89 71.12 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.738 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.429 ' CD2' HG23 ' A' ' 43' ' ' VAL . 62.8 t80 -60.32 -33.74 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.24 -34.86 66.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.266 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -65.77 -34.61 78.58 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.7 mt -76.37 -39.96 52.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.0 p -67.64 141.91 95.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 161.12 40.08 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.509 2.14 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.72 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -96.14 32.59 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -67.56 -37.81 83.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.25 -31.35 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.85 -52.2 66.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' B' ' 107' ' ' GLU . 2.0 ptt180 -62.34 -32.25 73.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 106' ' ' ARG . 13.2 mt-10 -57.95 -58.14 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.57 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 71.2 mt -57.17 -55.36 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -43.95 64.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.059 0.457 . . . . 0.0 109.909 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 57.5 t80 -70.2 -34.0 72.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.656 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -59.98 -31.23 69.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.819 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -81.99 -33.64 30.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.749 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 10.6 mt -72.05 -54.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.48 64.79 0.82 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 34.6 mttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.939 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -149.27 69.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -30.31 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.55 -31.87 67.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -52.18 -33.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.1 64.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.714 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -41.42 82.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.307 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -42.26 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.737 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.58 -44.07 91.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.178 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -72.42 -45.99 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.805 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -63.88 -39.55 94.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.46 -54.73 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.36 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -53.35 -38.73 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.65 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.2 -26.18 61.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.59 -32.42 71.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.039 0.447 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -88.32 -50.9 6.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.057 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 19' ' ' ASN . 5.1 mp -86.46 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 66.3 3.66 2.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.649 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 17' ' ' ILE . 10.6 t30 -94.84 168.2 10.95 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.838 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.17 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -39.63 63.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.94 -46.96 66.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 ttmt -65.19 -33.12 75.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.17 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -46.69 87.38 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 63.6 t80 -67.41 -48.85 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.772 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.3 tp -57.2 -42.36 81.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.0 OUTLIER -61.14 -33.03 72.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.14 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -72.4 -33.17 66.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.06 -54.31 35.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.707 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.61 -40.45 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.374 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.69 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.436 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -32.64 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 37' ' ' MET . 6.7 t80 -66.98 -26.4 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -80.69 -31.12 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -62.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.485 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 t -76.05 -22.5 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 7.2 mmt 62.27 38.54 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -105.29 112.23 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.89 -24.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -27.25 60.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.87 -42.17 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.962 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.1 pp -65.56 -39.25 91.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG23 ' CD2' ' A' ' 74' ' ' TYR . 57.7 t -64.49 -43.29 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.491 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.6 -52.61 50.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.07 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 3.2 m-20 -60.81 -44.61 96.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.413 . . . . 0.0 110.491 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -50.57 -39.63 50.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mptm? -68.47 -49.67 58.13 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.91 -26.73 10.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.16 -27.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 23.3 mt -104.1 25.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 4.2 m-20 -49.51 -27.34 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.872 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.99 144.8 29.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.784 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.35 -25.1 63.79 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 112.643 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t -56.67 -38.49 72.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.381 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 14.22 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.766 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.4 mt -51.34 -54.83 34.42 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -35.45 -31.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.583 2.855 . . . . 0.0 113.766 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.0 -43.03 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 111.363 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 16.5 m-85 -60.62 -50.71 72.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.317 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -74.88 -26.63 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.852 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.64 -48.34 66.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.484 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 9.8 mt -74.89 -35.01 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.123 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.6 ttm180 -43.05 -52.48 11.78 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.0 Cg_endo -51.98 -53.11 7.54 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.322 2.015 . . . . 0.0 113.073 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.56 -8.72 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.294 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 66' ' ' ILE . 10.9 mt -84.45 133.57 44.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.751 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 1.7 Cg_endo -45.08 138.42 9.17 Favored 'Trans proline' 0 CA--C 1.508 -0.775 0 C-N-CA 122.948 2.432 . . . . 0.0 112.62 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -49.92 -45.72 51.28 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.733 -1.576 . . . . 0.0 111.55 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -56.32 20.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.11 0.481 . . . . 0.0 110.143 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 11.5 m170 -62.32 -23.19 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.606 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.06 -49.58 73.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.067 0.46 . . . . 0.0 109.914 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.45 -53.86 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.978 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.33 -35.48 71.95 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' CD2' HG23 ' A' ' 43' ' ' VAL . 19.3 t80 -60.54 -33.66 72.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -33.22 65.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.364 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.69 -34.39 78.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.47 -33.07 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.6 p -98.61 98.72 6.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.18 140.38 53.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.425 2.084 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.49 164.35 12.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.66 58.98 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -138.77 -49.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -72.88 -53.58 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.773 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.11 -51.98 67.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.53 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.55 -58.08 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.56 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.73 -55.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.741 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.5 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.39 -34.37 67.85 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.662 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.53 -32.04 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.1 0.476 . . . . 0.0 109.792 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -82.06 -34.2 29.55 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.863 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 6.1 mt -83.05 -68.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.87 33.12 19.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.806 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.787 0.327 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.19 75.32 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 -46.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.054 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.441 ' CG1' ' CD2' ' B' ' 104' ' ' TYR . 39.2 t -52.66 -38.34 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.423 . . . . 0.0 110.135 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.8 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.833 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -38.8 84.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -71.95 -49.5 36.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.414 ' CD1' HD21 ' A' ' 65' ' ' LEU . 43.2 t80 -61.98 -39.52 92.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.385 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -73.35 -46.5 48.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -62.04 -42.96 99.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.724 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.77 -56.69 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.29 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -53.44 -37.21 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.7 -28.22 62.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -69.6 -32.84 71.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.837 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.5 mt -89.63 -43.25 10.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.935 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 4.3 mp -92.69 -64.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.0 1.77 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.606 0.717 . . . . 0.0 111.067 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -90.15 -167.79 1.94 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.771 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.17 -55.58 1.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.13 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 111.235 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 17' ' ' ILE . 2.1 mp0 -65.49 -44.49 86.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -34.37 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.21 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.54 -50.61 71.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.009 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 52.7 t80 -67.27 -46.5 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.872 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.4 -41.9 81.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.03 -33.87 73.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.43 -33.33 67.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.224 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.18 -54.47 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.778 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -59.44 -39.33 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.07 0.462 . . . . 0.0 110.249 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -40.06 76.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 mtp -73.22 -43.89 60.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.205 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' MET . 16.3 t80 -61.72 -18.26 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.984 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' CD2' HD11 ' B' ' 109' ' ' ILE . 58.5 t-80 -85.25 -40.46 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 t -76.85 -28.41 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.736 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.487 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 69.37 41.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.001 0.429 . . . . 0.0 110.756 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 p30 -102.19 112.58 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.4 t -81.72 -23.36 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.69 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.05 -42.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 33' ' ' TYR . 1.2 pp -63.5 -40.66 97.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.588 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.431 HG22 ' CE1' ' A' ' 74' ' ' TYR . 86.8 t -60.75 -43.42 95.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.915 0.388 . . . . 0.0 110.352 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.55 -47.08 92.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.096 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 50.4 m-20 -61.89 -49.7 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.529 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.403 ' HB3' HD11 ' A' ' 50' ' ' ILE . 9.6 mt -50.46 -38.06 41.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' ASN . 3.7 mttp -67.51 -49.7 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.229 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.22 -26.88 12.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.532 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.25 -27.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 16.2 mt -104.99 25.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.374 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -47.5 -29.0 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.907 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -98.9 153.18 37.95 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.34 -20.11 55.38 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.859 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -37.89 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.89 12.31 13.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.676 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.62 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.9 mt -51.45 -53.73 46.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -38.52 -28.22 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.449 2.766 . . . . 0.0 113.737 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.82 -53.16 56.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.605 0.24 . . . . 0.0 111.068 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 50' ' ' ILE . 37.6 m-85 -50.93 -42.48 59.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -71.56 -29.31 64.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.138 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.17 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.384 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.491 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 1.1 mm -75.23 -35.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.056 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.11 11.17 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 82.4 Cg_exo -44.46 -54.08 4.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.742 2.295 . . . . 0.0 113.668 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -74.53 -26.38 59.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.149 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 66' ' ' ILE . 50.1 mt -66.72 133.03 94.07 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.36 139.9 35.69 Favored 'Trans proline' 0 CA--C 1.506 -0.899 0 C-N-CA 122.778 2.319 . . . . 0.0 112.74 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.22 -37.85 37.41 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.255 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -73.18 -45.03 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.293 0.568 . . . . 0.0 109.695 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.142 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.12 -43.1 99.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.919 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.0 -58.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.038 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.4 -35.04 69.52 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CE1' HG22 ' A' ' 43' ' ' VAL . 58.2 t80 -59.72 -33.56 71.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -33.03 65.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.145 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -65.39 -34.25 77.87 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.01 -35.98 36.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.5 p -82.8 156.32 67.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.71 150.05 84.45 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.263 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.56 146.53 30.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.34 48.97 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -151.66 -45.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . 0.441 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 2.5 m-85 -56.46 -38.02 71.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.068 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.85 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -64.16 -32.09 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.986 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -58.43 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.857 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.75 61.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.405 HD11 ' CD2' ' A' ' 34' ' ' HIS . 71.3 mt -56.41 -51.37 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -64.25 -37.13 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.478 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.55 -41.46 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -71.36 -34.43 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.736 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -59.98 -31.0 69.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.734 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 51.6 mt -69.81 -32.13 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.23 53.31 2.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mtp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.827 0.346 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.47 50.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -169.07 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -57.0 -31.95 65.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.41 -38.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.422 . . . . 0.0 110.192 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.56 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.644 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -36.06 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.96 -50.17 37.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.6 -36.26 83.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.175 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -72.56 -44.37 62.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.861 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.5 -44.42 96.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmmm -59.21 -53.72 55.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.5 t -53.16 -37.29 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.83 -28.77 64.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.59 -32.67 71.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.099 0.476 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -89.44 -50.09 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.052 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mm -85.37 -61.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.526 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 67.43 3.8 3.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.422 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -102.08 166.83 10.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.983 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -100.72 -47.49 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.07 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -45.9 91.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.658 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -61.46 -52.42 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.034 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -67.26 -44.74 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.36 -42.95 83.04 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.7 m-85 -61.17 -32.22 71.95 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.36 -33.08 67.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.221 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.96 -54.35 30.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.732 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.91 -37.45 82.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.329 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -64.75 -44.2 90.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.15 -37.31 80.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CD1' HD23 ' A' ' 42' ' ' LEU . 9.3 t80 -61.08 -37.47 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.616 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -71.05 -31.31 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -62.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.341 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 t -71.89 -26.56 62.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.543 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.18 37.17 9.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.7 111.13 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.995 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.01 -24.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -24.32 59.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.687 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.95 -43.03 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.4 pp -66.45 -39.46 88.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.87 -41.73 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.01 -51.97 56.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.072 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.62 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.529 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 50' ' ' ILE . 9.3 mt -51.32 -41.76 60.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' ASN . 18.0 mttt -66.14 -50.32 64.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.8 -26.77 10.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.45 -27.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.255 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 18.8 mt -101.94 22.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.236 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' LYS . 23.8 p30 -46.12 -29.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.104 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.22 142.64 24.97 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.23 -26.16 59.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.563 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -59.92 -33.12 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.315 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -87.89 12.03 14.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.676 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 10.5 mt -53.06 -54.68 41.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.99 -27.77 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.42 2.747 . . . . 0.0 113.745 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.75 -33.53 56.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.625 0.25 . . . . 0.0 111.444 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 20.3 m-85 -68.69 -50.86 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 1.3 t70 -73.34 -23.55 60.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.512 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.78 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.529 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.1 mt -75.3 -35.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.12 -52.59 11.87 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 91.0 Cg_exo -41.16 -53.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.797 2.331 . . . . 0.0 113.44 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.18 -25.73 59.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.91 128.28 93.71 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.752 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.438 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.1 Cg_endo -47.98 161.55 0.35 Allowed 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.693 2.262 . . . . 0.0 112.741 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -28.09 66.48 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 113.781 -1.554 . . . . 0.0 111.968 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -78.98 -47.83 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.076 0.465 . . . . 0.0 110.052 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 54.2 m170 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.22 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -61.23 -49.47 77.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 110.129 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.84 -53.32 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -33.85 70.11 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.34 -34.25 76.29 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.15 -35.99 66.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.03 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.85 -31.79 72.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.791 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.7 -41.3 45.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.52 155.67 7.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -58.02 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.78 0.324 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -158.95 164.51 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 59.78 53.12 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.51 -44.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -53.76 -52.56 59.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.787 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -59.89 -34.02 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.12 -58.19 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.22 73.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.5 mt -56.56 -55.44 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.34 -35.15 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.0 -43.03 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.073 0.463 . . . . 0.0 109.808 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.503 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 4.7 t80 -70.12 -35.56 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.63 -29.05 67.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.72 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -81.9 -36.35 28.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.798 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.33 -38.12 76.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.36 81.22 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.825 0.345 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.24 31.75 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -95.48 -32.16 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.11 70.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.51 -35.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.253 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.75 -36.3 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.823 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -36.31 80.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.97 -49.15 39.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.284 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.17 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.086 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -73.17 -50.01 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 6.6 t-160 -60.89 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.3 mmtp -59.27 -57.96 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.62 -37.56 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -72.95 -28.79 62.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' NE2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -69.7 -30.61 68.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 110.618 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -93.25 -49.23 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.302 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.542 ' C ' ' H ' ' A' ' 19' ' ' ASN . 2.2 mp -73.79 -51.56 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 55.96 3.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 0.0 111.95 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.542 ' H ' ' C ' ' A' ' 17' ' ' ILE . 24.8 m120 -110.45 159.33 17.59 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.818 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.2 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.12 88.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.3 -46.82 78.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.694 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -62.3 -31.95 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.236 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -51.05 69.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.887 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.19 -45.71 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.577 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.9 tp -57.48 -41.69 81.18 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' CD2' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.33 -33.54 73.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.22 -33.17 67.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.11 -51.81 67.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.484 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.35 -40.56 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.532 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.97 -37.55 88.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -47.09 54.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.787 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.445 ' CG ' ' CD1' ' A' ' 42' ' ' LEU . 14.0 t80 -56.15 -42.13 76.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -30.18 68.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -77.99 -57.81 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.985 0.422 . . . . 0.0 111.372 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -77.59 -22.83 50.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.445 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.5 mmt 61.02 47.95 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.708 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 5.6 t0 -124.66 113.74 18.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.51 -23.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.963 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.58 -23.99 62.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.197 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 38' ' ' ASP . 67.2 t -75.85 -54.12 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.514 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD1' ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -55.23 -41.07 71.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.634 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -49.22 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.33 46.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.1 -42.62 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.327 . . . . 0.0 110.808 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CD2' HD11 ' A' ' 50' ' ' ILE . 10.5 mt -51.95 -42.43 62.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ASN . 27.0 mmtt -66.02 -50.52 63.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.381 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.1 mt -51.83 -26.03 9.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.675 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -99.3 -27.73 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 17.3 mt -104.31 25.11 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -47.03 -28.84 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.932 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -97.7 152.49 38.17 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.16 -18.87 51.21 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.775 2.317 . . . . 0.0 112.808 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -66.83 -38.85 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.247 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -87.83 9.8 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.714 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mt -53.3 -45.76 98.24 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 81.8 Cg_exo -43.05 -24.74 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.764 2.31 . . . . 0.0 113.639 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' A' ' 50' ' ' ILE . 3.6 mt -53.89 -44.93 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.368 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 50' ' ' ILE . 34.1 m-85 -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.367 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 9.7 t70 -74.86 -28.56 60.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.66 69.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.622 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 12.1 mt -74.92 -35.66 36.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.84 -54.06 11.58 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.457 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.2 Cg_exo -43.98 -53.11 4.89 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.131 2.554 . . . . 0.0 113.964 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -73.33 -7.0 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.16 141.97 35.55 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.954 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.62 137.6 1.62 Allowed 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 122.895 2.397 . . . . 0.0 113.233 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 5.3 mt -50.11 -25.02 3.08 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.732 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -88.64 -34.99 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 51.4 m170 -75.34 -31.17 60.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.934 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 3.9 pt20 -63.85 -40.99 97.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.053 0.454 . . . . 0.0 109.808 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.5 t -65.56 -57.71 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.971 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -58.17 -34.65 70.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.7 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 10.0 t80 -61.24 -33.79 74.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.05 -34.15 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.094 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -65.89 -31.69 72.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.593 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.01 -39.28 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.01 151.54 67.12 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 -160.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.617 2.211 . . . . 0.0 112.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -79.19 170.64 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.07 32.95 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -110.2 -38.25 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.02 -48.89 72.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -52.15 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.747 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -57.04 -32.27 66.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -58.1 9.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.17 83.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.12 -55.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.578 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.07 -33.32 75.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.39 -43.84 71.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 109.934 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.492 ' CD2' ' CG ' ' A' ' 27' ' ' TYR . 13.6 t80 -72.26 -34.32 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.616 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.92 -31.63 71.15 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.08 -32.32 30.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.836 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 11.9 mt -75.44 -35.01 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.44 38.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptm . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.13 106.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.793 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -152.18 -46.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.98 -32.06 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.49 -37.13 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.136 0.493 . . . . 0.0 110.217 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.88 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.8 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -39.54 84.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.82 -47.02 56.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.459 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 13.7 t80 -66.79 -35.65 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.24 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -74.39 -45.5 46.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.665 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -65.77 -42.61 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.784 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.8 mmtm -59.35 -57.6 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.5 t -53.4 -37.26 28.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.811 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.56 -31.79 70.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.138 0.494 . . . . 0.0 110.633 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -93.26 -34.93 13.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.054 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.487 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 2.9 mp -95.47 -67.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.969 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.6 3.41 1.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.335 0.588 . . . . 0.0 112.023 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.487 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 1.7 m120 -108.03 126.51 52.81 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.667 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.95 -46.01 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.92 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -64.5 -45.36 87.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.22 -31.93 73.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.091 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.99 -51.71 66.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.018 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -67.22 -46.35 74.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.43 -41.19 79.97 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.5 m-85 -60.5 -34.18 73.69 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.4 -32.84 66.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.304 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.62 -54.44 28.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.25 -37.42 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.322 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -44.71 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -40.95 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.436 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.425 ' CD1' HD22 ' A' ' 42' ' ' LEU . 11.9 t80 -58.63 -38.54 78.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -56.22 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -77.57 -26.98 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.296 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.9 40.0 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -117.77 112.44 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 t -68.16 -23.35 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.23 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.4 t -78.58 -45.7 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 33' ' ' TYR . 1.1 pp -63.42 -39.2 93.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.74 -42.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -52.69 50.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.992 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.95 -43.17 99.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.25 -36.82 53.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.408 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -69.19 -50.41 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.123 0.487 . . . . 0.0 110.244 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -26.57 11.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.722 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 t -100.46 -28.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 31.6 mt -104.48 25.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.8 p-10 -48.11 -28.11 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.001 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.84 152.02 37.88 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.64 -18.86 54.14 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.731 2.287 . . . . 0.0 112.752 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 m -64.53 -37.78 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -88.05 11.65 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.635 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.2 mt -53.57 -45.85 98.45 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.7 Cg_exo -41.95 -28.27 0.76 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.695 2.263 . . . . 0.0 113.482 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB3' HD11 ' A' ' 50' ' ' ILE . 1.9 mt -55.35 -42.51 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -60.77 -46.93 88.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.052 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -75.08 -29.39 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.795 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.5 66.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.663 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.4 mt -74.61 -34.74 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.117 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.04 -54.06 9.58 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 19.2 Cg_endo -59.17 -52.98 4.03 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.349 2.033 . . . . 0.0 113.276 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -59.47 -20.6 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.599 0.238 . . . . 0.0 111.63 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.403 ' CG1' ' HD2' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -81.08 144.11 54.07 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.652 0.263 . . . . 0.0 111.194 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 99.7 Cg_exo -42.41 139.81 2.78 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 113.291 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -49.98 -36.28 27.61 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.22 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -73.86 -46.2 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.323 0.583 . . . . 0.0 109.578 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' CE1' ' HG2' ' A' ' 67' ' ' PRO . 11.9 m170 -63.71 -27.71 69.4 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.109 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -58.64 -54.16 50.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.53 -52.55 58.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.131 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.74 -35.12 68.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.738 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CE1' HG23 ' A' ' 78' ' ' THR . 9.8 t80 -61.02 -33.86 73.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -34.66 66.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.329 178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.62 -31.32 72.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.86 -33.3 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' CE1' ' A' ' 74' ' ' TYR . 25.6 p -92.26 133.74 29.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.33 104.71 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.445 2.096 . . . . 0.0 112.197 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.899 0.38 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -106.77 154.17 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.29 46.21 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -109.43 -41.8 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.62 -37.76 79.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.04 67.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.31 -58.2 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -46.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.55 -55.43 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -63.99 -35.42 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -54.18 -42.03 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 16.7 t80 -72.43 -33.9 67.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.606 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.36 -32.12 70.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.08 -32.97 30.05 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.569 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.6 -73.01 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.03 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.316 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.788 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -63.81 173.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER 68.36 -58.21 0.47 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -31.87 34.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.652 0.263 . . . . 0.0 111.358 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.31 -37.48 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.277 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.06 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.733 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.04 83.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.71 -43.08 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 11.1 t80 -63.27 -44.97 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.294 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -72.3 -45.45 59.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.6 -41.31 97.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmtp -60.94 -53.66 54.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.428 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.25 -37.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.75 -28.54 64.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -31.96 70.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.128 0.489 . . . . 0.0 110.311 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.3 mt -88.37 -51.97 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.159 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 19' ' ' ASN . 7.1 mm -86.09 -58.71 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.373 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 66.2 3.75 2.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.571 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 17' ' ' ILE . 1.5 m-20 -99.14 178.74 4.82 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.737 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -111.99 -46.96 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.52 85.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.047 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.27 -46.95 72.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.521 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.29 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.98 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.01 -50.76 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.893 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.27 -46.17 74.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.38 -42.04 81.37 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.0 m-85 -61.91 -32.47 72.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -33.48 67.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.161 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.38 -54.39 33.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 CA-C-O 120.873 0.368 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.79 -33.06 74.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.134 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -65.34 -40.77 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -31.63 52.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.184 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CD1' HD21 ' A' ' 42' ' ' LEU . 15.2 t80 -66.05 -31.37 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -68.94 -34.85 76.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -55.3 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -75.67 -30.18 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.54 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 6.7 mmt 62.19 41.15 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.609 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -111.61 110.58 21.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.2 t -66.3 -24.58 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.76 -25.71 59.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.97 -45.54 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 33' ' ' TYR . 1.3 pp -64.34 -39.4 93.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.76 -40.93 84.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.5 -54.39 36.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.082 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.3 -37.51 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.701 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.4 mttt -69.27 -49.79 52.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.98 -27.2 12.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.609 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -99.61 -27.84 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.513 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 41.6 mt -102.54 23.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' LYS . 14.1 t30 -48.57 -27.54 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.106 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -96.26 142.57 24.75 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.749 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.51 -18.96 42.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.531 2.154 . . . . 0.0 112.76 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -38.52 90.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.399 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.87 8.3 26.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.79 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 6.6 mt -50.19 -53.44 44.07 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.0 Cg_exo -36.18 -30.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.49 2.793 . . . . 0.0 113.746 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.76 -44.92 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.329 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -57.9 -50.7 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.252 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -74.41 -25.13 59.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -50.5 53.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.716 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.01 -35.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -54.35 10.46 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 86.8 Cg_exo -46.87 -53.02 6.76 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.942 2.428 . . . . 0.0 113.515 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -67.0 -25.57 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.08 139.68 85.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.187 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -37.68 137.09 0.41 Allowed 'Trans proline' 0 CA--C 1.509 -0.752 0 C-N-CA 123.433 2.755 . . . . 0.0 113.213 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.19 -37.84 37.05 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.628 -1.623 . . . . 0.0 111.316 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -71.78 -45.51 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 0.0 109.864 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 33.4 m170 -66.24 -25.11 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.17 -52.84 63.15 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.66 -50.51 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.899 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.6 -36.33 73.85 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -58.05 -33.67 69.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.449 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -73.01 -48.79 33.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.095 178.751 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -66.51 -16.83 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.531 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.8 mt -99.02 -43.19 6.78 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.529 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 3.0 m -87.2 -74.72 0.05 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 69.7 Cg_endo -74.02 -1.45 10.89 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.425 2.083 . . . . 0.0 112.737 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.827 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.78 21.07 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.156 0.503 . . . . 0.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.69 27.28 9.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -95.86 -34.99 11.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.689 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.02 -52.07 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.32 71.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -58.0 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.15 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.409 HG21 HD13 ' B' ' 109' ' ' ILE . 59.5 mt -57.66 -55.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.27 -34.55 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.69 -41.25 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.112 0.482 . . . . 0.0 109.834 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.03 -33.91 68.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -31.3 69.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.706 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -82.16 -34.63 29.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.56 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.05 -34.41 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.87 54.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.847 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.823 0.345 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.33 86.16 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.48 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -73.42 -31.97 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -52.54 -33.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.71 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.583 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -67.68 -36.19 80.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.731 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -46.71 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.588 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 30' ' ' LEU . 32.7 t80 -63.54 -40.07 96.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.71 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -62.92 -39.57 94.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 21.5 mmtt -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 17' ' ' ILE . 63.4 t -53.42 -38.55 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.606 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.16 -27.81 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.108 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -31.27 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.003 0.43 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -92.87 -48.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.195 -179.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.451 ' C ' ' H ' ' A' ' 19' ' ' ASN . 4.7 mp -90.08 -58.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.83 0.6 3.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.863 0.839 . . . . 0.0 110.058 -178.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.5 t-20 -95.86 169.31 10.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.495 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 96.3 m-20 -103.77 -47.27 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.65 75.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.398 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.06 -47.28 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.0 ptpt -66.54 -29.33 69.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -49.57 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.631 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -67.2 -47.2 71.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.41 -39.26 75.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD2' ' CZ ' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.59 -33.94 74.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.32 -35.7 68.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.071 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.3 t -63.31 -45.89 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 5.3 mt -63.23 -41.02 99.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.965 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -55.15 -40.3 70.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.324 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -49.19 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.339 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 37' ' ' MET . 61.7 t80 -56.25 -24.94 45.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -73.94 -47.67 35.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 t -77.25 -31.07 54.74 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.562 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.6 mmt 63.86 49.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.827 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -105.76 108.97 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -27.06 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.341 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.47 67.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.5 t -79.0 -44.6 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 33' ' ' TYR . 1.0 OUTLIER -56.29 -43.06 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.679 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 t -63.94 -50.04 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -52.98 41.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.234 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.65 -43.03 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' ILE . 9.4 mt -52.63 -35.55 54.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.47 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 23.8 mmtp -70.78 -50.55 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.86 -26.73 10.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.63 -27.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.425 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 45.4 mt -103.62 24.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.01 -28.28 1.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.019 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.08 155.85 36.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.695 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -68.94 -22.74 35.5 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.602 2.202 . . . . 0.0 112.823 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -61.1 -35.96 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -88.14 14.26 9.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.713 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.485 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.5 mt -56.89 -46.71 99.83 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 90.8 Cg_exo -43.92 -25.81 1.17 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.849 2.366 . . . . 0.0 113.58 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.89 -48.27 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' A' ' 50' ' ' ILE . 12.6 m-85 -52.91 -50.78 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -74.31 -24.77 59.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.64 59.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.567 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 32.2 mt -75.06 -35.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.02 9.93 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.0 Cg_exo -42.3 -53.68 3.51 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.816 2.344 . . . . 0.0 113.431 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.19 -26.44 60.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 66' ' ' ILE . 45.4 mt -67.2 130.31 93.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.449 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.7 Cg_exo -40.28 138.93 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.071 2.514 . . . . 0.0 112.885 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -49.96 -45.67 51.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.57 -1.65 . . . . 0.0 111.645 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.32 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.115 0.483 . . . . 0.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.8 m170 -67.58 -26.74 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -62.67 -46.76 86.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.032 0.444 . . . . 0.0 109.828 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.17 -55.6 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.945 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.4 -34.81 71.14 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.642 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.08 -33.42 72.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -72.69 -39.18 67.25 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.188 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -66.42 -24.71 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt -89.36 -30.48 18.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.806 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -45.58 -58.64 5.66 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.623 -179.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 78' ' ' THR . 65.8 Cg_endo -75.41 -172.36 1.27 Allowed 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.905 2.404 . . . . 0.0 112.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.42 159.28 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 59.41 43.49 16.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -144.23 -45.24 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -69.85 -31.03 68.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.65 -52.21 53.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -57.62 -58.18 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.01 74.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 11.9 mt -56.37 -55.52 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.59 -35.87 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.598 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -43.48 66.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.115 0.483 . . . . 0.0 109.866 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.404 ' CZ ' ' CD2' ' A' ' 27' ' ' TYR . 37.8 t80 -71.07 -33.77 70.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.563 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -60.34 -31.16 70.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.754 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.66 30.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 11.8 mt -72.76 -36.09 51.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.0 35.34 1.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.984 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.764 0.316 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -98.43 32.0 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 -47.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -64.29 -31.75 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -52.49 -34.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 7.9 mtm180 -67.91 -41.22 83.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.533 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -31.82 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.422 ' CE1' HD23 ' A' ' 65' ' ' LEU . 15.6 t80 -75.98 -41.2 52.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 109.996 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -41.35 60.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.597 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 14.7 m170 -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.692 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.2 mmtp -59.24 -57.87 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.32 -37.65 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.689 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.09 -30.93 71.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.569 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -32.5 71.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.15 0.5 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 2.9 mt -82.95 -50.86 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.244 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -76.12 -56.93 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.0 111.669 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 65.1 4.23 2.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.359 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 17' ' ' ILE . 9.4 t30 -110.16 -171.46 1.84 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.6 -47.17 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.39 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -66.38 -46.89 75.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.624 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 16.1 ttmt -63.82 -31.56 72.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.188 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.05 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -67.27 -45.69 75.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.759 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.46 -44.14 84.59 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -60.06 -33.37 71.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 177.229 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.4 -32.83 66.71 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.155 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -69.78 -47.38 70.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.548 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.0 -33.78 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -46.33 75.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.543 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.7 ptm -69.61 -33.04 72.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD1' HD23 ' A' ' 42' ' ' LEU . 2.0 t80 -62.01 -43.01 99.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.527 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -72.65 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -77.57 -23.94 49.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.32 37.37 4.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.897 0.38 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.71 110.71 21.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 t -72.16 -25.46 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.14 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.9 t -78.98 -45.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 33' ' ' TYR . 1.6 pp -63.19 -38.91 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.573 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG23 ' CE1' ' A' ' 74' ' ' TYR . 60.8 t -63.48 -43.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.598 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.35 -55.32 31.38 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.162 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.7 -43.11 94.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD2' HD12 ' A' ' 50' ' ' ILE . 9.8 mt -50.33 -43.58 54.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -65.86 -48.81 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.77 -27.12 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 t -98.8 -28.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 14.9 mt -101.7 23.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.7 p30 -46.94 -28.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -98.56 140.97 22.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.79 -23.0 47.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.638 2.225 . . . . 0.0 112.633 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -58.99 -36.42 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.2 mtt85 -87.94 16.67 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.808 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 14.0 mt -52.98 -47.38 95.78 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.9 Cg_exo -42.73 -28.98 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.76 2.306 . . . . 0.0 113.343 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -57.06 -33.57 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.148 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.45 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 22.0 m-85 -71.09 -46.74 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.8 m-20 -75.19 -27.78 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -50.83 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 15.1 mt -74.8 -34.6 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.254 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.538 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 31.6 ttt180 -43.6 -52.88 13.08 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 15.0 Cg_endo -57.9 -53.07 4.81 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.511 2.14 . . . . 0.0 113.529 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -67.41 -10.61 52.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.212 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.17 145.01 42.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.3 138.4 3.19 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.861 2.374 . . . . 0.0 113.188 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.12 -42.99 51.5 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 113.572 -1.649 . . . . 0.0 111.302 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -72.2 -37.9 69.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 109.705 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.6 m170 -67.25 -26.18 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.482 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.81 -50.89 71.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 109.958 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.53 -52.59 59.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.892 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.47 -33.7 70.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE1' HG23 ' A' ' 43' ' ' VAL . 53.9 t80 -61.11 -33.55 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.73 -40.43 66.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.133 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.33 -26.17 67.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.29 -29.36 20.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.82 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.43 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -46.04 -56.53 10.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.54 -179.563 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 78' ' ' THR . 74.3 Cg_endo -77.45 161.86 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.854 2.369 . . . . 0.0 112.293 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.826 0.346 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 -178.98 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.68 28.2 17.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -89.79 -34.75 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -72.8 -34.51 66.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.2 -50.52 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -34.41 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -58.06 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.02 -37.38 84.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.683 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.85 -55.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.812 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -35.23 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.729 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.01 -43.61 70.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 109.79 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.415 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 56.3 t80 -70.3 -33.83 72.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.537 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.75 -30.52 68.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.751 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.02 -35.26 29.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.743 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mt -70.62 -35.76 62.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.37 53.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.914 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -160.95 124.59 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -47.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.53 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.4 t -52.32 -33.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.07 0.462 . . . . 0.0 110.251 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -40.55 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.67 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -67.76 -39.13 84.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.731 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -72.53 -36.83 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.271 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -69.34 -43.66 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.19 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -43.06 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -61.03 -45.44 94.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.55 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.21 -53.26 60.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.39 -37.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.545 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -72.14 -27.47 62.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -69.74 -33.68 72.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.061 0.458 . . . . 0.0 110.568 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -91.54 -47.04 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.977 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.496 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 1.5 mp -81.76 -65.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 62.53 3.4 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.334 0.588 . . . . 0.0 111.892 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.496 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 7.4 m-20 -107.37 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.44 -42.75 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.26 95.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.192 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' CB ' HG21 ' A' ' 17' ' ' ILE . 3.4 mt-10 -67.64 -45.29 75.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -65.55 -33.09 75.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.146 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.48 -48.11 81.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.26 -49.35 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.688 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -39.36 75.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 2.4 m-85 -62.01 -34.26 75.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.53 66.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.261 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.77 -54.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.85 -38.02 77.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -44.29 93.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.445 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 mmm -71.05 -44.07 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.18 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CD1' HD22 ' A' ' 42' ' ' LEU . 9.9 t80 -56.4 -26.13 52.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.745 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -74.53 -42.74 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -62.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.81 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -65.91 -26.37 67.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.605 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 10.0 mmt 60.66 30.72 19.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.759 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.29 112.74 24.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 70' ' ' HIS . 20.8 t -77.02 -25.24 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.1 61.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.474 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.4 t -78.9 -44.34 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.028 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -64.65 -36.31 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.475 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.31 -44.83 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.463 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.57 44.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.975 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.0 -41.65 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -53.02 -39.87 63.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.795 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -66.79 -50.32 63.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.149 0.5 . . . . 0.0 110.23 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.3 mt -51.89 -26.64 10.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.541 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.6 t -98.48 -27.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.341 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 23.6 mt -101.17 22.2 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.055 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.38 150.28 36.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -61.6 -25.97 79.86 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.587 2.192 . . . . 0.0 112.579 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.14 17.62 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.807 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.8 -45.82 99.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.8 Cg_exo -47.56 -23.0 3.22 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.711 2.274 . . . . 0.0 113.519 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.96 -44.34 70.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.686 0.279 . . . . 0.0 111.499 -179.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CD2' ' OH ' ' A' ' 74' ' ' TYR . 88.4 m-85 -57.9 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.336 . . . . 0.0 111.244 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -74.9 -25.27 58.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.95 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.563 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.6 mt -75.07 -35.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.4 ttp180 -43.25 -53.43 11.08 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 87.6 Cg_exo -45.49 -53.23 5.72 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.255 . . . . 0.0 112.941 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.79 -14.48 61.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.248 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.418 HG23 HD12 ' A' ' 66' ' ' ILE . 43.8 mt -82.82 135.45 45.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.065 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.3 Cg_exo -41.85 140.33 2.04 Favored 'Trans proline' 0 CA--C 1.51 -0.685 0 C-N-CA 123.109 2.539 . . . . 0.0 112.872 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.22 -45.01 53.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.774 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -46.82 74.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.12 0.486 . . . . 0.0 110.111 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.446 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 36.1 m170 -64.99 -28.09 69.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.424 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.97 -47.19 87.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.975 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 t -61.39 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.154 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.78 -36.14 69.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.837 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' OH ' ' CD2' ' A' ' 59' ' ' PHE . 66.3 t80 -59.61 -33.53 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.475 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 40.9 t0 -72.91 -37.06 67.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.286 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.53 -27.18 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.739 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.0 mt -96.95 -24.29 15.9 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.475 ' OG1' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -48.08 -59.4 5.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 111.663 -179.474 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 78' ' ' THR . 59.9 Cg_endo -73.55 144.81 36.51 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.931 2.421 . . . . 0.0 112.48 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.73 124.59 47.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.32 32.79 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -85.86 -46.7 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.83 -54.01 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.44 -52.0 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.77 -32.17 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -58.15 9.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -45.65 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 86.9 mt -56.61 -55.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.984 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -35.44 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.22 -41.92 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 109.902 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.498 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 3.0 t80 -72.3 -33.79 67.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.657 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.52 -31.87 70.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.734 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.21 -32.96 29.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.711 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 18.8 mt -74.15 -34.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.33 38.58 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.35 119.57 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -46.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -32.02 72.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.52 -35.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.06 0.457 . . . . 0.0 110.121 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -39.13 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.608 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -38.14 83.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.06 -41.31 67.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.413 ' CE1' HD22 ' A' ' 65' ' ' LEU . 11.8 t80 -68.36 -43.52 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.323 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -40.1 66.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -63.67 -46.06 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.779 0.323 . . . . 0.0 110.634 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.4 mmtp -59.53 -52.04 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' A' ' 26' ' ' LEU . 57.6 t -53.37 -37.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.777 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.47 -28.74 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.028 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.95 -32.68 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.999 0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -93.31 -43.6 8.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.406 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.479 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 2.7 mp -87.88 -62.78 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.171 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 61.08 3.62 0.72 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.299 0.571 . . . . 0.0 111.905 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.479 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -105.22 135.29 46.84 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.67 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.04 -51.66 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.18 92.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.717 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 50.2 mt-10 -68.38 -42.6 78.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.398 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 2.5 ttmp? -58.88 -28.9 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 -52.0 45.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.205 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -67.2 -32.99 74.42 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.154 -0.619 . . . . 0.0 111.463 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' N ' ' HD1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -68.68 -48.07 64.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.28 -34.74 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.66 -53.82 41.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.594 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.07 -39.6 92.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.255 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -63.18 -40.16 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.557 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -42.08 72.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.934 0.397 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.44 ' CD1' HD21 ' A' ' 42' ' ' LEU . 6.0 t80 -59.66 -31.71 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.834 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -84.61 -30.28 25.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.1 -62.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -73.91 -21.69 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.434 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt 61.37 45.09 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.948 0.404 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.06 112.55 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -67.7 -23.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.92 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 0.0 110.427 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.95 -37.72 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.777 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -66.72 -39.01 87.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.261 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.5 t -65.37 -47.76 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.18 41.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.126 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -59.73 -40.92 89.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.939 0.399 . . . . 0.0 110.255 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 62' ' ' ILE . 11.0 mt -58.52 -29.76 66.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.4 mmtp -71.5 -50.81 27.78 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.71 -20.09 54.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.524 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG2' ' CD1' ' A' ' 25' ' ' TYR . 54.0 t -99.53 -29.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.199 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 27.6 mt -107.24 21.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.374 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.8 p-10 -50.25 -27.52 6.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.956 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.63 147.32 33.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.77 -27.84 79.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.473 2.116 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -59.97 -37.63 80.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.15 17.41 5.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.785 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.2 mt -61.45 -44.02 91.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 83.2 Cg_exo -46.19 -23.02 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.683 2.256 . . . . 0.0 113.382 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mt -53.89 -40.34 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.636 0.255 . . . . 0.0 111.486 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -61.85 -50.89 70.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 111.337 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.31 -28.2 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.62 -49.78 61.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.417 ' CD1' HD22 ' A' ' 46' ' ' LEU . 5.5 mt -75.2 -34.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.558 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -42.92 -50.59 13.39 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 7.4 Cg_endo -49.68 -53.24 7.37 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.297 1.998 . . . . 0.0 112.916 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD22 ' CE1' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -73.68 -8.85 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 111.215 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 66' ' ' ILE . 38.1 mt -84.6 128.85 59.58 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.26 141.05 3.35 Favored 'Trans proline' 0 CA--C 1.509 -0.749 0 C-N-CA 122.996 2.464 . . . . 0.0 113.141 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -50.18 -46.56 54.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 1.1 ptpp? -67.18 -41.7 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.482 . . . . 0.0 109.98 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.428 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 49.5 m170 -66.61 -30.12 70.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.243 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.91 -45.76 93.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.07 -55.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.852 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.35 -35.18 69.59 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -59.8 -33.51 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -36.63 66.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.186 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -65.76 -30.36 71.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt -84.21 -39.77 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 p -71.18 149.35 94.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.13 85.28 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.944 0.402 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.77 169.12 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -126.29 -44.48 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.59 -52.26 66.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -52.37 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.75 -33.55 73.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.64 -58.13 9.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.54 -41.92 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 71.8 mt -56.91 -55.49 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.23 -35.08 79.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.91 -43.33 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 109.797 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 65.1 t80 -70.64 -34.24 71.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -29.75 69.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.742 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -35.29 29.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.562 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 8.3 mt -71.37 -57.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 57.84 31.89 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.883 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.784 0.326 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.13 33.75 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -128.12 -47.77 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -61.07 -31.89 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -52.24 -33.48 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.225 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.36 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.669 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.4 ttp180 -67.86 -38.43 83.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.42 -47.71 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.474 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' CE1' HD22 ' A' ' 65' ' ' LEU . 24.0 t80 -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.171 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttm105 -71.64 -49.24 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 3.6 t-160 -59.26 -44.01 92.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.073 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -59.28 -53.77 54.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.5 t -58.05 -39.63 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 18' ' ' GLU . 35.4 t70 -72.99 -22.72 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' CD2' ' A' ' 11' ' ' HIS . 1.1 m-85 -69.33 -54.91 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.259 0.552 . . . . 0.0 110.086 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' CD1' HG13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -64.93 -41.93 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.521 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG13 ' CD1' ' A' ' 16' ' ' LEU . 10.1 mt -88.37 -63.71 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 14' ' ' ASP . 27.3 tt0 68.1 3.68 3.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.187 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 17' ' ' ILE . 1.7 t-20 -102.95 163.56 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.774 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.04 -45.32 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.97 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.62 -45.05 88.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.453 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 9.1 ttmt -64.76 -32.96 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.143 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -47.31 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -67.31 -48.66 66.96 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -42.53 81.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 0.4 OUTLIER -60.32 -34.92 74.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.154 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -31.06 65.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.196 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 48.5 t -69.45 -54.33 20.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.8 -37.23 78.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.53 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.796 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.467 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 8.7 ptm -73.49 -30.26 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' ' CD2' ' A' ' 42' ' ' LEU . 8.6 t80 -62.64 -41.58 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -67.99 -30.17 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.01 -59.58 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -74.97 -25.6 58.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.49 48.94 4.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -121.29 107.89 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.54 -25.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.323 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -25.47 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.435 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.9 t -78.9 -43.19 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 1.2 pp -65.61 -37.91 87.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.72 -42.64 92.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.41 -54.03 41.04 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.198 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.93 -44.53 97.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.6 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.36 -39.3 46.07 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ASN . 10.3 mttm -68.39 -49.5 59.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -52.03 -26.46 10.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.614 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.39 -27.81 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 24.2 mt -102.9 23.69 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.224 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -49.71 -27.44 4.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -100.21 144.25 28.05 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.16 -24.79 60.68 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.509 2.139 . . . . 0.0 112.61 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -56.51 -38.38 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.373 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.02 15.52 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.743 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.9 mt -53.77 -46.66 98.31 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 80.9 Cg_exo -42.42 -28.88 1.08 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.693 2.262 . . . . 0.0 113.373 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 1.1 mt -60.39 -41.74 94.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 111.138 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -60.23 -50.66 72.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 10.4 t70 -75.25 -27.27 59.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.88 -52.39 37.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.897 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 17.9 mt -74.91 -34.91 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.265 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -43.41 -54.03 10.55 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -52.07 -53.15 7.45 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.785 2.324 . . . . 0.0 114.03 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -68.0 -10.46 53.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.22 141.22 37.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.68 0.276 . . . . 0.0 111.052 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 93.1 Cg_exo -42.9 140.37 3.06 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 122.918 2.412 . . . . 0.0 113.146 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.01 -42.4 49.15 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.289 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -39.37 75.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.232 0.539 . . . . 0.0 109.638 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.409 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 41.2 m170 -66.13 -31.4 72.23 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.173 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.57 -49.2 78.3 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.014 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -58.44 -54.28 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.783 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.35 -33.1 67.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.514 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -60.76 -33.45 72.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -73.03 -34.67 66.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.282 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -65.73 -32.79 74.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -80.1 -40.28 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.046 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 p -59.13 159.88 13.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.6 179.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.581 2.187 . . . . 0.0 112.193 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.989 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.909 0.385 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.32 177.41 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.05 31.1 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -104.02 -34.75 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -65.16 -40.86 94.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -59.92 -52.09 66.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.756 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.74 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -59.43 -58.1 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.26 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.68 -55.42 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -65.74 -33.7 76.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -46.91 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.085 0.469 . . . . 0.0 109.775 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 4.1 t80 -69.91 -33.9 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.551 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.49 -29.71 69.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.718 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.94 -35.15 29.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.643 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.3 -31.48 54.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.96 45.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.956 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 mtt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.895 0.378 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -103.56 62.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -165.48 -50.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -31.99 72.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -52.56 -36.05 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.461 . . . . 0.0 110.303 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.62 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -37.76 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.78 -50.05 46.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 65' ' ' LEU . 53.1 t80 -65.51 -40.11 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.37 -41.18 73.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -64.2 -48.51 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 mptt -59.24 -54.09 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.99 0.424 . . . . 0.0 110.299 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.35 -37.0 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.577 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -70.34 -30.45 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.95 -32.81 71.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -90.38 -44.93 9.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.206 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.476 ' CG2' ' H ' ' A' ' 19' ' ' ASN . 3.0 mp -85.23 -66.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 61.9 3.44 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.337 0.589 . . . . 0.0 111.968 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.476 ' H ' ' CG2' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -103.36 -175.05 2.69 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.691 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -110.31 -49.29 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.64 83.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.29 -46.26 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.522 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -63.14 -32.87 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.96 -51.97 65.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.017 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 67.4 t80 -67.18 -45.03 78.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.879 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.44 -43.22 83.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.16 -33.75 72.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -72.33 -33.66 67.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.167 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.26 -46.77 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.381 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.43 -46.06 90.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.148 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -55.57 -32.3 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.385 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -51.17 26.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.449 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' MET . 4.2 t80 -56.4 -24.39 44.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -82.0 -42.97 18.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.889 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -62.46 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.942 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.403 HG21 ' N ' ' A' ' 37' ' ' MET . 8.2 t -76.63 -35.43 58.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.009 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.2 mmt 60.96 53.28 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.87 112.44 18.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.0 t -57.65 -22.74 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.195 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.55 62.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.244 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.59 -50.61 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.526 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -56.31 -46.44 79.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.693 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.58 -44.7 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 2.4 m-20 -61.66 -47.01 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD2' HD13 ' A' ' 50' ' ' ILE . 10.5 mt -50.47 -42.57 54.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.7 mmtt -64.75 -50.48 66.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.332 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.02 -26.3 10.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.678 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.22 -27.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 7.5 mt -103.41 23.01 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.355 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.83 -29.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.894 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.59 144.06 27.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.637 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.32 -23.07 44.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.521 2.148 . . . . 0.0 112.677 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -36.89 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.397 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.11 18.92 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.877 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.4 mt -57.26 -46.23 99.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 79.4 Cg_exo -42.95 -26.87 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.791 2.327 . . . . 0.0 113.426 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' HD11 ' A' ' 50' ' ' ILE . 5.7 mt -55.41 -36.58 66.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.277 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -64.65 -51.01 64.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.143 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 t70 -75.11 -28.84 60.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.69 59.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.978 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 7.0 mt -74.97 -35.45 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -43.35 -53.34 11.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 98.2 Cg_exo -42.55 -54.09 3.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 113.573 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 4.3 pp -74.49 -23.77 58.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.716 0.294 . . . . 0.0 111.067 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.9 mt -68.45 133.22 91.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.83 139.8 13.74 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 122.821 2.347 . . . . 0.0 112.791 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.1 -45.15 52.52 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 113.775 -1.557 . . . . 0.0 111.66 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -65.4 -50.7 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.145 0.498 . . . . 0.0 109.877 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 11.7 m170 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.35 -46.36 90.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.066 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -61.36 -55.04 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.102 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -34.09 69.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.97 -33.78 73.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.39 -35.66 65.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.327 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.9 -33.59 76.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.38 -33.62 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -84.57 112.72 44.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.12 165.22 2.18 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.43 2.087 . . . . 0.0 112.395 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.922 0.391 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -111.36 107.91 17.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 171.08 -45.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -33.67 72.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -47.29 -39.75 15.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.315 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -52.21 66.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -58.12 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.45 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.25 -55.55 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -64.25 -37.7 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -40.62 66.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 109.837 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -72.4 -34.54 67.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.657 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.26 69.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -82.15 -33.79 29.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.699 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 15.6 mt -76.22 -70.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 57.51 43.13 23.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.809 0.338 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -137.02 31.46 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -143.73 -52.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.01 64.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.5 t -52.39 -35.18 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.39 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.9 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -67.75 -35.69 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.913 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.12 -50.13 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 65' ' ' LEU . 26.0 t80 -62.19 -37.01 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.228 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -74.19 -49.36 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.09 -34.36 77.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.2 mmtm -63.73 -54.99 26.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.372 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.38 -37.48 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -30.53 68.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -30.34 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.18 0.514 . . . . 0.0 110.386 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -87.1 -52.57 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.051 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' C ' ' H ' ' A' ' 19' ' ' ASN . 10.5 mm -84.41 -62.94 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.601 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 67.58 3.9 3.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.395 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.0 t-20 -105.35 178.88 4.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.37 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -44.24 84.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.194 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.1 76.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.841 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -67.15 -46.46 73.98 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.24 -43.76 83.23 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.77 -33.66 71.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.337 178.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.88 -49.58 79.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.643 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.39 -39.84 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -36.02 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -49.85 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.674 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CG ' ' CD1' ' A' ' 42' ' ' LEU . 29.4 t80 -59.09 -25.47 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CG ' HD13 ' B' ' 109' ' ' ILE . 16.5 t60 -84.8 -34.5 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.736 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -78.38 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.259 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -74.42 -27.9 60.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.655 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.4 mmt 63.16 51.39 2.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.731 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.32 112.37 17.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.53 -25.16 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.12 -24.02 62.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.29 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -74.92 -54.73 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.595 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -55.21 -44.98 75.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.571 179.616 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.5 -46.18 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.71 -57.27 20.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -40.99 97.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' ILE . 9.9 mt -54.34 -37.94 65.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' ASN . 13.8 mmtp -70.19 -50.76 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.12 -27.6 14.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.058 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.16 -28.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 41.7 mt -105.12 25.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.184 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -46.77 -29.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.73 152.89 38.78 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.84 -20.95 38.74 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.773 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -34.91 76.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.252 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 50' ' ' ILE . 11.1 mtt85 -88.07 16.46 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.651 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.499 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.9 mt -55.93 -44.92 99.92 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.2 Cg_exo -43.91 -24.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.715 2.277 . . . . 0.0 113.702 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -53.06 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.376 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -51.59 -49.15 62.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.1 t70 -74.97 -24.99 58.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.87 -51.61 46.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.686 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 10.1 mt -74.97 -34.61 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.206 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.561 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 2.0 ttt180 -42.83 -51.25 12.6 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.5 Cg_endo -53.85 -53.44 6.44 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.291 1.994 . . . . 0.0 113.126 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -73.87 -8.0 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 66' ' ' ILE . 9.4 mt -81.98 134.59 49.47 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.533 0.206 . . . . 0.0 110.772 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -40.55 136.32 1.84 Allowed 'Trans proline' 0 CA--C 1.509 -0.741 0 C-N-CA 123.135 2.557 . . . . 0.0 112.96 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.28 -44.58 53.92 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.604 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 17.3 pttt -67.09 -46.76 73.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m170 -64.55 -28.22 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.527 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.7 -50.47 73.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.049 0.452 . . . . 0.0 109.845 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.43 -52.6 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.742 178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.86 -33.94 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.567 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -60.06 -33.92 72.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.18 -36.22 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.392 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -65.9 -32.74 74.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.41 -26.07 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.7 p -99.6 97.14 5.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.89 -167.68 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.414 2.076 . . . . 0.0 112.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.367 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -162.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.57 10.43 15.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.87 70.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.738 0.304 . . . . 0.0 110.773 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -60.97 -52.29 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.64 -52.07 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -32.15 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.8 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -58.06 10.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.52 -42.7 67.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.423 HD13 ' CG ' ' A' ' 34' ' ' HIS . 85.6 mt -57.01 -55.33 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.856 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -63.11 -35.61 80.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -40.06 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . 0.484 ' CD1' ' CZ ' ' A' ' 27' ' ' TYR . 21.8 t80 -72.34 -34.13 67.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.87 -31.52 69.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.817 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -34.15 29.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.617 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 mt -71.78 -35.01 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.04 55.05 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -60.57 -31.75 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.749 HG21 ' CE2' ' B' ' 104' ' ' TYR . 41.0 t -52.17 -33.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.076 0.465 . . . . 0.0 110.061 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.9 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.788 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 7.5 ttp180 -67.9 -42.16 81.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 23.3 mt-10 -70.42 -31.43 68.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.26 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 t80 -76.13 -43.43 43.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.329 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -75.42 -34.75 61.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -71.74 -35.59 70.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.822 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.94 -54.28 19.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 38.2 t -53.65 -37.64 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.18 -29.86 65.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.655 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.52 66.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.604 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -86.69 -51.61 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.237 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 19' ' ' ASN . 21.0 mm -77.09 -54.08 13.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.67 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 64.13 4.07 1.95 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.447 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.636 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.7 t30 -104.79 171.15 7.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.08 -49.62 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -40.97 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HB2' HG21 ' A' ' 17' ' ' ILE . 14.6 mt-10 -66.82 -46.96 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -32.08 73.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.181 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.27 -50.9 69.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.773 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 65.1 t80 -67.26 -46.46 73.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.641 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.814 HD21 HD21 ' A' ' 58' ' ' LEU . 40.5 tp -57.4 -40.99 79.43 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.8 m-85 -61.34 -32.42 72.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.52 -33.96 69.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.909 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 42' ' ' LEU . 47.0 t -61.97 -47.7 92.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.442 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.24 -43.79 98.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.256 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -33.73 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.378 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.899 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.08 -52.2 20.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.336 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CG ' HD12 ' A' ' 42' ' ' LEU . 32.4 t80 -56.16 -23.54 35.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB2' HD13 ' B' ' 109' ' ' ILE . 54.0 t-80 -77.49 -46.81 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.864 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' O ' ' A' ' 32' ' ' MET . 15.0 t -67.58 -32.2 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.993 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.3 mmt 59.04 49.35 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 0.0 110.719 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' CG ' HG23 ' A' ' 41' ' ' VAL . 44.3 t0 -124.35 101.36 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -57.35 -29.48 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.452 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -67.01 -25.12 66.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' CG ' ' A' ' 38' ' ' ASP . 92.3 t -78.91 -43.01 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -58.13 -46.13 86.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.746 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 47' ' ' LYS . 22.0 t -57.36 -44.56 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.36 -56.79 23.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 48' ' ' LEU . 9.3 m-20 -62.13 -49.15 77.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.855 0.359 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -50.75 -33.77 24.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.797 ' HD2' HG12 ' A' ' 43' ' ' VAL . 4.7 mtpt -70.88 -50.79 31.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.272 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -52.88 -26.05 13.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 t -101.06 -28.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 50' ' ' ILE . 46.0 mt -104.84 24.9 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.312 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.61 -28.25 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.1 146.45 32.32 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.752 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.8 Cg_exo -58.78 -26.17 79.05 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.564 2.176 . . . . 0.0 112.597 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.2 m -55.51 -38.04 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.09 18.86 3.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.761 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.3 mt -58.27 -46.9 99.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 93.6 Cg_exo -43.73 -26.94 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.851 2.367 . . . . 0.0 113.475 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -54.1 -33.89 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.319 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.645 ' HE2' HD23 ' A' ' 56' ' ' LEU . 15.9 m-85 -67.08 -50.6 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.0 -26.09 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -48.9 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.63 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 8.9 mt -75.01 -35.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.22 -53.11 11.5 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 89.3 Cg_exo -41.09 -53.68 2.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.851 2.367 . . . . 0.0 113.417 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.831 HD12 HD12 ' B' ' 105' ' ' LEU . 0.4 OUTLIER -74.25 -24.95 59.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 62' ' ' ILE . 44.6 mt -67.3 132.98 93.25 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.8 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -39.73 137.63 1.07 Allowed 'Trans proline' 0 CA--C 1.51 -0.7 0 C-N-CA 122.887 2.391 . . . . 0.0 113.231 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.06 -42.87 50.68 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.663 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -44.21 70.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.095 0.474 . . . . 0.0 110.155 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 9.1 m170 -67.11 -25.5 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.457 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.82 -50.86 71.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.042 0.449 . . . . 0.0 109.935 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.07 -52.93 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.937 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -58.06 -34.43 70.11 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 59.1 t80 -61.57 -33.64 74.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -73.11 -36.5 66.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.279 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.83 -32.28 73.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.024 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.749 ' CE2' HG21 ' A' ' 5' ' ' VAL . 66.9 m-85 -72.83 -31.28 64.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.86 -52.27 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.702 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -63.41 -32.18 73.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.5 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.25 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 34' ' ' HIS . 62.7 mt -56.8 -55.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.189 0.519 . . . . 0.0 109.858 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.899 ' HA ' HD12 ' B' ' 115' ' ' ILE . 41.1 t80 -71.7 -34.71 69.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.374 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.61 -29.77 68.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.764 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.06 -36.04 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.636 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 112' ' ' TYR . 13.9 mt . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -67.86 -32.21 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.559 HG11 ' HD1' ' B' ' 104' ' ' TYR . 45.1 t -52.67 -39.78 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 0.0 110.095 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.9 67.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.81 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -39.64 87.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -49.51 40.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.874 ' O ' HG23 ' A' ' 13' ' ' VAL . 85.5 t80 -60.45 -43.27 97.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -71.5 -45.72 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.804 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.0 tmtp? -59.3 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.299 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.4 t -53.43 -37.41 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.725 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -72.89 -29.07 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -29.49 66.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.098 0.475 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -86.86 -52.19 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.359 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.6 mm -74.45 -56.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.629 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 64.81 4.23 2.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.369 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.4 t-20 -107.97 -172.23 2.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -48.02 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.99 85.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -46.92 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -64.61 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.745 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 29' ' ' VAL . 63.9 t80 -67.2 -47.23 71.54 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.681 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 58' ' ' LEU . 30.5 tp -57.29 -41.37 79.67 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' B' ' 112' ' ' TYR . 1.2 m-85 -61.18 -34.13 74.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.39 -33.42 67.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.376 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 25' ' ' TYR . 47.5 t -66.7 -49.29 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.77 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.17 -35.16 79.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.227 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.15 -45.56 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ptm -71.8 -28.93 63.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.566 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.606 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.2 t80 -67.59 -39.01 84.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.712 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.403 ' HB2' HD13 ' B' ' 109' ' ' ILE . 42.3 t-80 -66.21 -30.7 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.34 -62.07 1.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.512 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 4.3 t -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.78 32.21 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.652 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.601 ' OD2' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -100.69 101.56 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -64.85 -30.03 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.494 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -26.71 64.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.601 HG23 ' OD2' ' A' ' 38' ' ' ASP . 91.8 t -79.03 -47.96 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.2 pp -59.59 -38.38 81.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.6 t -63.75 -40.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.95 -53.2 48.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.755 . . . . 0.0 111.952 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.32 -45.42 91.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.231 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.821 ' CD2' HD12 ' A' ' 58' ' ' LEU . 10.3 mt -52.14 -36.27 50.94 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.422 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.5 mttm -68.0 -50.24 56.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.054 0.454 . . . . 0.0 110.395 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -54.84 -26.18 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 t -101.11 -28.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 50' ' ' ILE . 3.7 mp -110.2 27.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.458 0.647 . . . . 0.0 110.773 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 t-20 -48.96 -27.76 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 38.1 mt-10 -94.59 139.56 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 47.3 Cg_exo -56.14 -24.06 47.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.475 2.117 . . . . 0.0 112.482 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -56.93 -36.28 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' CB ' HG23 ' A' ' 50' ' ' ILE . 14.1 mtt-85 -87.96 12.03 14.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.637 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.7 mt -46.65 -49.37 46.77 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.3 Cg_exo -42.03 -28.18 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.781 2.32 . . . . 0.0 113.319 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.821 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.37 -35.4 73.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 111.28 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.69 -45.72 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 5.7 t0 -75.03 -26.36 59.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.57 -48.03 68.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 58' ' ' LEU . 12.9 mt -75.02 -34.67 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.991 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.9 ttm180 -42.97 -51.05 13.24 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -53.38 -53.32 6.83 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.272 1.981 . . . . 0.0 113.233 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.66 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.74 -7.37 51.84 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.375 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.677 HG13 HG22 ' A' ' 62' ' ' ILE . 20.1 mt -85.34 135.61 38.68 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.652 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 92.9 Cg_exo -41.6 137.06 2.79 Favored 'Trans proline' 0 CA--C 1.508 -0.788 0 C-N-CA 122.907 2.405 . . . . 0.0 112.97 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.11 -42.27 50.09 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 113.752 -1.567 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -71.83 -41.85 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.728 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.675 ' HB3' HG11 ' A' ' 39' ' ' VAL . 14.9 m170 -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.428 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.97 -50.43 73.41 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.045 0.45 . . . . 0.0 110.14 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.17 -54.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.87 -36.32 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.76 ' HA ' HD12 ' A' ' 77' ' ' LEU . 34.1 t80 -60.15 -33.67 72.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -35.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.138 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -65.82 -33.68 76.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 74' ' ' TYR . 2.3 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.559 ' HD1' HG11 ' A' ' 5' ' ' VAL . 55.6 m-85 -55.84 -49.77 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.05 -52.03 67.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -32.2 72.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -58.14 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.59 63.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.426 HD11 ' HG ' ' B' ' 105' ' ' LEU . 84.0 mt -58.05 -55.45 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.1 -33.56 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.421 ' O ' HG12 ' B' ' 115' ' ' ILE . 0.6 OUTLIER -55.06 -45.65 75.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.434 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -67.72 -36.16 80.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.61 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.63 -27.54 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -81.98 -37.68 26.28 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.683 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.421 HG12 ' O ' ' B' ' 111' ' ' GLU . 41.0 mm . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.796 0.331 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -71.39 -31.97 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.538 HG11 ' HD1' ' B' ' 104' ' ' TYR . 25.9 t -52.45 -34.65 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.37 66.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.639 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -36.66 81.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.02 -49.99 39.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 27.7 t80 -66.18 -34.68 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -43.77 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -68.47 -44.6 74.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -59.19 -58.0 10.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.339 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' PHE . 82.9 t -53.82 -37.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.497 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.39 -27.73 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.725 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.02 70.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -91.46 -51.04 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.943 -179.481 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.918 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.8 mp -70.2 -50.57 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.89 3.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.262 0.553 . . . . 0.0 112.424 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.918 ' H ' HG22 ' A' ' 17' ' ' ILE . 98.6 m-20 -113.48 141.5 47.04 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.705 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.29 -50.84 19.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.11 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.059 0.457 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB2' HG23 ' A' ' 17' ' ' ILE . 4.8 mm-40 -61.68 -46.81 88.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.7 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -62.88 -30.84 71.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.298 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.18 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 29' ' ' VAL . 55.7 t80 -67.2 -46.9 72.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.762 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 58' ' ' LEU . 6.8 tt -57.42 -42.01 81.51 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD2' ' CE2' ' B' ' 112' ' ' TYR . 1.1 m-85 -60.44 -34.34 73.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.24 -32.75 66.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.154 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 45' ' ' ASP . 90.5 t -62.18 -50.69 78.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD21 ' CZ ' ' A' ' 9' ' ' PHE . 1.3 mt -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.33 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -37.89 80.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.518 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.511 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -77.77 -34.19 52.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.351 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.598 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.1 t80 -60.56 -33.37 72.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.572 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -67.25 -34.66 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.23 -54.32 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 ' H ' ' A' ' 38' ' ' ASP . 12.2 t -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.85 40.53 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -128.57 111.07 12.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.9 t -57.67 -24.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.61 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.408 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 38' ' ' ASP . 97.6 t -78.8 -45.75 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.826 HD12 HD23 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -61.0 -41.24 96.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.192 179.669 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.9 t -64.76 -49.55 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.36 -43.11 57.58 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 29' ' ' VAL . 58.6 m-20 -65.96 -58.47 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.826 HD23 HD12 ' A' ' 42' ' ' LEU . 1.4 pp -58.49 -23.6 58.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.52 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -65.61 -50.96 63.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.4 -27.23 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.532 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG13 ' OE1' ' A' ' 22' ' ' GLU . 47.0 t -87.1 -25.65 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.128 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 50' ' ' ILE . 6.0 mt -115.25 26.13 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.261 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.4 t-20 -45.01 -25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.2 149.52 36.32 Favored Pre-proline 0 C--N 1.334 -0.105 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.589 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.712 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.7 Cg_endo -66.74 -20.62 52.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.644 2.229 . . . . 0.0 112.87 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -34.77 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.296 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 50' ' ' ILE . 67.9 mtt85 -87.98 11.67 15.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.794 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD23 ' CE2' ' A' ' 59' ' ' PHE . 7.3 mt -50.94 -46.25 87.71 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.766 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.7 Cg_exo -31.9 -32.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.535 2.823 . . . . 0.0 115.028 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -54.69 -33.39 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.251 -0.28 . . . . 0.0 111.703 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CE2' HD23 ' A' ' 56' ' ' LEU . 59.3 m-85 -64.51 -50.92 65.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.738 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 4.0 t70 -75.27 -28.97 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 0.0 110.599 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.671 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.17 -50.38 54.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.926 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.028 HD11 HD23 ' A' ' 58' ' ' LEU . 8.0 mt -76.01 -35.72 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -47.97 -36.41 10.33 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.071 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.671 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 17.4 Cg_exo -68.18 -52.89 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.374 2.05 . . . . 0.0 112.922 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 HD22 ' B' ' 105' ' ' LEU . 1.7 pp -62.72 -33.58 75.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.051 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -66.04 145.04 99.0 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 63.1 Cg_exo -37.75 137.53 0.4 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 122.915 2.41 . . . . 0.0 113.413 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.9 mt -50.04 -31.95 14.23 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.546 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 15.8 m170 -71.9 -37.69 70.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.748 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.6 pt20 -60.33 -39.2 86.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.921 0.391 . . . . 0.0 110.114 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 68' ' ' LEU . 2.9 t -63.04 -57.2 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.71 -32.45 65.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' OH ' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -59.35 -36.73 76.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.34 64.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.605 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -65.89 -33.48 75.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.803 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 110.788 -179.707 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.538 ' HD1' HG11 ' A' ' 5' ' ' VAL . 50.7 m-85 -53.47 -51.79 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 109' ' ' ILE . 2.8 mm? -60.02 -52.2 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.935 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -32.31 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -61.98 -58.26 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.126 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -45.94 56.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.765 HD11 HD12 ' B' ' 105' ' ' LEU . 89.9 mt -56.48 -55.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.32 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.68 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' B' ' 115' ' ' ILE . 54.8 t80 -71.95 -33.82 68.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.611 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -31.66 70.25 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.13 -33.69 29.53 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.575 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' B' ' 112' ' ' TYR . 19.6 mt . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.896 0.379 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -32.22 54.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -52.58 -41.81 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.224 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HB2' ' OE1' ' B' ' 107' ' ' GLU . . . -72.8 -33.07 66.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.729 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -67.71 -39.38 84.37 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.3 -48.72 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.817 ' O ' HG23 ' A' ' 13' ' ' VAL . 73.8 t80 -64.79 -39.17 93.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -73.4 -43.2 61.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.852 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -41.83 85.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.611 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.69 -57.03 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 110.446 179.648 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.6 t -53.39 -37.34 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.632 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.73 -28.17 63.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.587 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.59 -31.59 69.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.439 . . . . 0.0 110.418 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -89.63 -51.54 5.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.059 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 19' ' ' ASN . 6.5 mt -85.55 -59.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.493 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 32.2 tt0 67.55 3.7 3.49 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.046 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.692 ' HB2' HG22 ' A' ' 17' ' ' ILE . 85.6 m-20 -106.75 161.3 14.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.73 -39.57 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.25 -54.04 50.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.013 0.435 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.602 ' HB3' HD13 ' A' ' 17' ' ' ILE . 4.6 mt-10 -61.24 -45.81 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -30.99 71.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.143 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -52.41 64.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.892 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.9 t80 -67.15 -44.54 79.53 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.585 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 58' ' ' LEU . 20.7 tp -57.59 -41.74 81.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.4 m-85 -61.26 -32.38 72.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -35.5 71.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.885 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 42' ' ' LEU . 47.2 t -61.59 -48.45 88.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.376 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.29 -37.58 86.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.889 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -55.72 -41.8 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.267 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 36' ' ' THR . 49.8 mmm -64.83 -49.98 68.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.186 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 37' ' ' MET . 12.3 t80 -56.36 -23.05 34.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.612 ' HB2' HD13 ' B' ' 109' ' ' ILE . 57.5 t-80 -81.76 -46.13 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.52 -62.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.979 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 32' ' ' MET . 6.4 t -77.82 -38.25 46.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.904 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.36 51.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.4 t70 -114.78 109.62 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.001 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.818 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.8 t -62.0 -21.64 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.298 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -74.68 -29.41 61.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 38' ' ' ASP . 95.9 t -77.05 -38.46 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.616 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 29' ' ' VAL . 1.2 mt -65.42 -45.17 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -66.19 -41.88 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.78 -55.69 29.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.643 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' CB ' HG22 ' A' ' 29' ' ' VAL . 5.8 m-20 -61.47 -44.47 97.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.698 HD21 HD11 ' A' ' 62' ' ' ILE . 11.8 mt -50.52 -42.7 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.3 mttm -66.33 -49.52 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.609 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.8 -26.37 9.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.28 -28.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.28 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 50' ' ' ILE . 11.9 mt -101.43 23.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.19 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.5 m120 -46.49 -29.62 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.968 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 7.0 mm-40 -101.83 144.94 29.59 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 44.2 Cg_exo -56.46 -24.39 52.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.508 2.139 . . . . 0.0 112.617 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.2 p -58.39 -38.25 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.641 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.9 mtt180 -88.02 14.16 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.644 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.6 mt -53.23 -52.5 65.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.98 -27.73 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.475 2.783 . . . . 0.0 113.68 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.72 -33.37 55.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 111.224 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 50' ' ' ILE . 18.1 m-85 -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.4 OUTLIER -75.13 -21.85 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.642 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.18 -51.45 45.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.523 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 58' ' ' LEU . 8.7 mt -76.18 -35.92 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' CG ' ' HD3' ' A' ' 64' ' ' PRO . 11.3 ptt180 -46.34 -37.2 7.53 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.642 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 47.6 Cg_exo -58.01 -52.88 5.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.072 1.848 . . . . 0.0 112.482 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.898 HD12 HD22 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -72.11 -19.33 61.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 179.531 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 62' ' ' ILE . 42.0 mt -73.23 134.17 80.51 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.03 135.16 8.15 Favored 'Trans proline' 0 CA--C 1.509 -0.729 0 C-N-CA 122.766 2.311 . . . . 0.0 112.868 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 mt -50.26 -26.78 5.09 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.66 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -87.2 -34.23 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 35.3 m170 -73.53 -32.62 64.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.686 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 3.0 pt20 -65.27 -37.24 86.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.6 t -64.15 -59.59 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -58.57 -36.11 73.44 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 43' ' ' VAL . 64.0 t80 -57.14 -33.48 67.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -72.89 -42.19 63.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.919 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.78 -16.22 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 74' ' ' TYR . 14.0 mt . . . . . 0 C--N 1.332 -0.162 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.799 0.333 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.24 -36.07 76.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.898 HD22 HD12 ' A' ' 65' ' ' LEU . 3.8 mm? -60.11 -52.24 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -62.19 -32.18 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -59.06 -57.99 10.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.08 72.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 34' ' ' HIS . 60.9 mt -60.29 -55.47 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -65.72 -38.87 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.99 -40.06 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.736 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.9 -33.92 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.606 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.97 -32.37 69.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.781 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -82.03 -34.47 29.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.0 mt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.915 0.388 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.88 -31.68 70.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG11 ' HD1' ' B' ' 104' ' ' TYR . 39.5 t -52.16 -33.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.268 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.04 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.648 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -35.99 79.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.48 -50.0 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.487 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.854 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.5 t80 -59.48 -42.14 91.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -48.26 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.807 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -43.29 92.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.56 -53.93 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.467 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 9' ' ' PHE . 45.3 t -53.38 -37.52 29.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -69.67 -29.04 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -32.65 71.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.07 0.462 . . . . 0.0 110.551 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 57' ' ' PRO . 3.8 mt -82.92 -51.29 7.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.195 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.546 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.5 mm -75.63 -55.81 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.5 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 64.38 4.22 2.12 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.445 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.5 t30 -105.82 174.39 5.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.25 -52.49 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.04 74.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mm-40 -65.24 -46.84 78.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.688 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -61.54 -32.67 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.318 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -62.28 -51.58 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.5 t80 -67.18 -43.14 82.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.038 HD11 HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.46 -46.61 83.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE2' ' CD1' ' B' ' 112' ' ' TYR . 0.3 OUTLIER -60.01 -31.35 69.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.248 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -72.46 -33.24 66.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 45' ' ' ASP . 55.7 t -66.26 -49.36 76.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.568 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.36 -37.05 85.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -45.85 87.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.315 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -64.54 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.168 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -63.05 -34.66 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' B' ' 109' ' ' ILE . 39.4 t-80 -75.02 -30.39 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.22 -62.21 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.47 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 4.7 t -72.64 -26.39 61.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.522 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.74 33.36 12.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 0.0 110.658 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 36' ' ' THR . 17.8 t0 -113.62 113.26 24.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.859 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.7 t -65.89 -22.85 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.59 -27.01 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.972 0.415 . . . . 0.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.4 t -78.38 -43.44 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -63.52 -39.64 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.5 t -67.21 -40.9 86.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.3 -52.45 49.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.141 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HG22 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -65.53 -47.25 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.508 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 50' ' ' ILE . 9.6 mt -50.56 -44.39 56.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HD3' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -62.76 -50.44 71.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.592 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.87 -26.69 10.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.456 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.28 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.163 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.823 HD11 HD22 ' A' ' 46' ' ' LEU . 7.1 mt -101.9 22.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.95 -30.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.57 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 56' ' ' LEU . 25.3 Cg_exo -62.82 -24.96 74.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.654 2.236 . . . . 0.0 112.625 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -38.41 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.606 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.559 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.95 15.13 7.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.947 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.8 mt -56.99 -45.86 99.92 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 16' ' ' LEU . 91.8 Cg_exo -43.8 -26.92 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.818 2.346 . . . . 0.0 113.515 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 26' ' ' LEU . 3.2 mt -56.85 -41.3 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 111.263 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -61.3 -50.87 71.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -75.19 -26.66 59.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.92 -50.04 58.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.629 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 58' ' ' LEU . 16.8 mt -75.12 -35.44 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 66' ' ' ILE . 5.4 ttt85 -42.93 -51.02 13.15 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 91.4 Cg_exo -41.18 -54.19 2.69 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.554 2.169 . . . . 0.0 113.622 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 ' HG ' ' B' ' 105' ' ' LEU . 0.3 OUTLIER -74.58 -30.48 61.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 63' ' ' ARG . 94.7 mt -56.59 135.04 77.62 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 84.6 Cg_exo -45.09 140.63 7.25 Favored 'Trans proline' 0 CA--C 1.508 -0.791 0 C-N-CA 122.82 2.347 . . . . 0.0 113.026 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.13 -46.3 53.74 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.622 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.83 70.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.214 0.531 . . . . 0.0 109.876 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 23.1 m170 -68.32 -29.29 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.143 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.26 -53.48 57.76 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.053 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.48 -53.25 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.061 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -57.33 -33.98 68.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.694 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.7 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.7 t80 -60.57 -33.64 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.92 -41.69 64.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.333 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.44 -22.32 66.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.677 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.684 0.278 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HD1' HG11 ' A' ' 5' ' ' VAL . 97.2 m-85 -72.69 -33.82 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.83 ' HG ' HD12 ' A' ' 65' ' ' LEU . 3.5 mt -59.44 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -58.92 -35.19 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.61 -58.04 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 34' ' ' HIS . 57.5 mt -57.08 -55.43 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -35.6 79.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.552 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -42.65 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.154 0.502 . . . . 0.0 109.782 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.838 ' HA ' HD12 ' B' ' 115' ' ' ILE . 70.1 t80 -70.6 -33.99 71.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.592 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.93 -30.33 68.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.735 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.06 -35.42 28.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.684 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.8 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -63.24 -32.0 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' B' ' 104' ' ' TYR . 28.6 t -52.24 -35.61 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.25 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.668 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -67.7 -38.49 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.47 -50.06 42.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.884 ' O ' HG23 ' A' ' 13' ' ' VAL . 80.0 t80 -63.47 -41.21 98.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.147 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -44.22 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.73 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 7.7 m170 -59.74 -45.41 92.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.751 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.22 -47.06 86.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.936 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 9' ' ' PHE . 59.1 t -53.73 -49.87 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.172 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.2 p30 -72.98 -17.42 61.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.76 -37.89 76.56 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.29 0.566 . . . . 0.0 109.957 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -93.53 -46.89 7.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.004 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.946 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.5 mp -68.57 -52.6 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 56.05 3.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.248 0.547 . . . . 0.0 112.03 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.946 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.9 t30 -110.67 -165.74 1.02 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.28 -47.25 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.74 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -64.6 -46.93 80.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.844 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HG3' HG12 ' A' ' 13' ' ' VAL . 3.3 mtmt -62.47 -33.53 75.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.256 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -47.91 82.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 109.957 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.3 t80 -67.1 -49.04 66.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.839 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.4 -41.58 80.56 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' B' ' 112' ' ' TYR . 3.6 m-85 -61.02 -34.28 74.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -32.77 66.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' TYR . 75.0 t -62.91 -54.31 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.589 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 44.8 mt -60.42 -39.29 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.179 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -60.34 -41.72 94.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.306 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.886 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ttp -72.64 -38.86 67.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.307 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CD2' HD22 ' A' ' 42' ' ' LEU . 8.2 t80 -62.33 -25.18 67.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.733 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -80.41 -35.84 34.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.487 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' O ' ' A' ' 32' ' ' MET . 8.8 t -70.92 -30.41 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.458 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.7 38.83 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.716 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.8 m-20 -109.08 110.77 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 t -73.27 -25.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 77' ' ' LEU . . . -72.99 -25.87 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.98 -46.1 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.5 pp -61.95 -40.16 94.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.549 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.9 t -62.26 -43.98 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -51.73 56.41 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.131 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 48' ' ' LEU . 44.2 m-20 -61.74 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.939 HD11 HD13 ' A' ' 62' ' ' ILE . 10.5 mt -51.03 -42.52 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.9 mtpp -66.53 -49.17 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 45' ' ' ASP . 20.7 mt -51.84 -26.69 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.3 t -99.07 -27.57 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.372 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 50' ' ' ILE . 14.8 mt -102.83 23.42 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.0 m120 -47.45 -28.96 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -97.3 154.16 38.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.5 Cg_endo -67.35 -20.1 49.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.615 2.21 . . . . 0.0 112.87 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.312 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.94 10.54 18.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.729 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 53' ' ' PRO . 5.4 mt -52.04 -46.7 93.0 Favored Pre-proline 0 CA--C 1.533 0.317 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -43.58 -25.36 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.775 2.317 . . . . 0.0 113.732 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 62' ' ' ILE . 2.3 mt -56.08 -50.04 72.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 111.326 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.632 ' CE2' HG21 ' A' ' 50' ' ' ILE . 35.3 m-85 -54.8 -50.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -74.02 -28.57 61.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.529 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.6 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.376 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 46' ' ' LEU . 3.7 mt -74.89 -35.5 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.374 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.33 -53.06 11.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 88.1 Cg_exo -41.14 -53.75 2.87 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.674 2.25 . . . . 0.0 113.366 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.27 -24.71 59.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 62' ' ' ILE . 85.0 mt -67.99 128.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.4 140.54 8.32 Favored 'Trans proline' 0 CA--C 1.508 -0.804 0 C-N-CA 122.863 2.375 . . . . 0.0 113.105 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.16 -43.34 52.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.28 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -71.11 -41.66 70.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.298 0.57 . . . . 0.0 109.684 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.0 m170 -64.38 -29.01 70.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.239 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -61.65 -45.12 95.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.991 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -61.35 -54.68 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.845 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.78 -34.27 71.26 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.617 ' HE2' HD11 ' A' ' 42' ' ' LEU . 5.3 t80 -59.44 -33.63 71.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -42.48 62.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -66.31 -27.28 67.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.452 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 40' ' ' ALA . 5.9 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.892 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.494 ' CD1' HG11 ' A' ' 5' ' ' VAL . 17.9 m-85 -60.0 -36.54 77.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.82 HD23 HD11 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -57.15 -52.16 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.671 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -60.18 -32.03 70.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.64 -58.09 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.39 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 110.903 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.82 HD11 HD23 ' B' ' 105' ' ' LEU . 82.8 mt -56.45 -54.58 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -34.34 77.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.47 -45.44 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 109.76 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 115' ' ' ILE . 44.1 t80 -69.28 -33.86 73.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.642 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.92 -30.31 68.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.805 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -34.89 29.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.874 HD12 ' HA ' ' B' ' 112' ' ' TYR . 33.3 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -71.0 -31.92 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.605 HG21 ' HE1' ' B' ' 104' ' ' TYR . 45.7 t -52.45 -35.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.974 0.416 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.72 -39.18 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.595 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -67.71 -39.18 84.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.3 -49.04 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.343 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.904 ' O ' HG23 ' A' ' 13' ' ' VAL . 78.7 t80 -62.22 -39.71 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -49.83 47.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.672 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.6 t-80 -59.79 -40.87 89.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.41 -46.53 88.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.117 179.368 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -53.49 -51.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.1 p30 -73.21 -16.68 61.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -36.77 76.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.263 0.554 . . . . 0.0 110.095 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -93.42 -51.13 5.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.888 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.995 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.1 mp -65.85 -52.95 43.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.46 3.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 111.806 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.995 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t30 -107.18 -165.18 1.04 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -124.06 -51.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.32 74.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HB2' HG23 ' A' ' 17' ' ' ILE . 42.0 mt-10 -69.18 -46.79 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.18 -33.51 75.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -62.42 -47.9 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.727 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 t80 -67.16 -47.92 69.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.889 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 58' ' ' LEU . 2.2 tt -57.29 -42.5 81.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 0.8 OUTLIER -60.79 -34.36 74.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.308 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.64 -32.28 65.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.423 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.4 t -64.29 -54.31 32.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -69.82 -38.58 76.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.678 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.876 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -76.25 -37.46 57.6 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.604 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.1 t80 -63.99 -32.4 73.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' B' ' 109' ' ' ILE . 25.8 t60 -64.03 -39.76 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -62.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 32' ' ' MET . 9.9 t -65.79 -28.56 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.553 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 17.0 mmt 61.51 32.28 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 2.2 t70 -102.38 111.67 24.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.4 t -73.98 -24.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.216 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.85 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.97 -48.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 33' ' ' TYR . 2.3 pp -61.58 -38.25 86.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 39' ' ' VAL . 99.0 t -61.55 -41.41 90.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.438 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.62 55.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.205 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 48' ' ' LEU . 47.8 m-20 -60.67 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.853 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.855 ' O ' HD12 ' A' ' 50' ' ' ILE . 10.1 mt -50.45 -42.73 54.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.585 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.91 -50.48 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 0.0 110.57 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.9 mt -52.55 -26.74 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.33 -27.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 46' ' ' LEU . 2.7 mp -109.99 27.44 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.447 0.642 . . . . 0.0 111.004 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -50.33 -26.24 4.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -95.63 155.98 37.96 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.621 ' O ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_endo -69.71 -21.86 33.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.679 2.253 . . . . 0.0 112.764 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -60.57 -36.64 78.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -87.99 10.48 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.624 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 53' ' ' PRO . 4.0 mt -44.68 -56.76 7.89 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.793 ' HG2' HD22 ' A' ' 16' ' ' LEU . 5.7 Cg_exo -38.26 -30.45 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.388 2.725 . . . . 0.0 113.348 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.777 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -56.63 -33.3 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.642 0.258 . . . . 0.0 111.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.69 -50.68 28.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 11.2 t0 -73.58 -22.1 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.06 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.525 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 58' ' ' LEU . 27.0 mt -75.15 -35.31 34.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 4.7 mtp180 -42.89 -51.91 11.99 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 85.4 Cg_exo -41.07 -53.75 2.83 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.806 2.337 . . . . 0.0 113.594 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -74.49 -26.22 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 62' ' ' ILE . 51.2 mt -64.92 134.37 96.04 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.786 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 82.3 Cg_exo -44.34 138.34 7.34 Favored 'Trans proline' 0 CA--C 1.509 -0.738 0 C-N-CA 122.736 2.291 . . . . 0.0 113.118 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.26 -37.93 38.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.343 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -73.11 -45.06 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 0.0 109.718 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.3 m170 -64.6 -24.83 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.18 -50.18 72.83 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.002 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.75 -53.96 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.103 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.64 -35.89 71.12 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.738 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.589 ' CD2' HG22 ' A' ' 43' ' ' VAL . 62.8 t80 -60.32 -33.74 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.24 -34.86 66.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.266 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -65.77 -34.61 78.58 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.781 0.325 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.605 ' HE1' HG21 ' A' ' 5' ' ' VAL . 9.0 m-85 -68.25 -31.35 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.42 ' CD2' HD12 ' A' ' 65' ' ' LEU . 10.3 mt -57.85 -52.2 66.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' B' ' 110' ' ' GLN . 2.0 ptt180 -62.34 -32.25 73.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' B' ' 106' ' ' ARG . 13.2 mt-10 -57.95 -58.14 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.57 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 34' ' ' HIS . 71.2 mt -57.17 -55.36 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 106' ' ' ARG . 0.7 OUTLIER -63.38 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.591 ' OE2' HD11 ' B' ' 115' ' ' ILE . 0.0 OUTLIER -52.19 -43.95 64.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.059 0.457 . . . . 0.0 109.909 179.328 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.83 ' HA ' HD12 ' B' ' 115' ' ' ILE . 57.5 t80 -70.2 -34.0 72.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.656 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -59.98 -31.23 69.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.819 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -81.99 -33.64 30.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.749 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' B' ' 112' ' ' TYR . 10.6 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.55 -31.87 67.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -52.18 -33.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.1 64.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.714 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -41.42 82.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.307 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -42.26 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.737 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 13' ' ' VAL . 50.0 t80 -64.58 -44.07 91.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.178 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -72.42 -45.99 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.805 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -63.88 -39.55 94.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.46 -54.73 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.36 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.3 t -53.35 -38.73 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.65 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.2 -26.18 61.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.59 -32.42 71.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.039 0.447 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -88.32 -50.9 6.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.057 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.913 HG22 ' H ' ' A' ' 19' ' ' ASN . 5.1 mp -86.46 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 66.3 3.66 2.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.649 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.913 ' H ' HG22 ' A' ' 17' ' ' ILE . 10.6 t30 -94.84 168.2 10.95 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.838 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.17 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -39.63 63.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.3 mm-40 -68.94 -46.96 66.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 ttmt -65.19 -33.12 75.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.17 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -46.69 87.38 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 63.6 t80 -67.41 -48.85 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.772 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.718 HD21 HD21 ' A' ' 58' ' ' LEU . 30.3 tp -57.2 -42.36 81.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.0 OUTLIER -61.14 -33.03 72.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.14 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -72.4 -33.17 66.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 42' ' ' LEU . 95.4 t -63.06 -54.31 35.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.707 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.61 -40.45 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.374 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.69 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.436 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.829 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -76.68 -32.64 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.7 t80 -66.98 -26.4 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HB2' HD13 ' B' ' 109' ' ' ILE . 44.2 t-80 -80.69 -31.12 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -62.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.485 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 32' ' ' MET . 4.4 t -76.05 -22.5 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 7.2 mmt 62.27 38.54 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.674 ' HB3' HG23 ' A' ' 41' ' ' VAL . 4.2 m-20 -105.29 112.23 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.1 t -76.89 -24.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -27.25 60.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.3 t -78.87 -42.17 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.962 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.1 pp -65.56 -39.25 91.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.7 t -64.49 -43.29 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.491 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.6 -52.61 50.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.07 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 3.2 m-20 -60.81 -44.61 96.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.413 . . . . 0.0 110.491 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.57 -39.63 50.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mptm? -68.47 -49.67 58.13 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.91 -26.73 10.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.16 -27.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 46' ' ' LEU . 23.3 mt -104.1 25.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 4.2 m-20 -49.51 -27.34 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.872 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.99 144.8 29.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.784 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.4 Cg_exo -57.35 -25.1 63.79 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 112.643 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t -56.67 -38.49 72.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.381 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.01 14.22 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.766 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.4 mt -51.34 -54.83 34.42 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.755 ' HG2' HD22 ' A' ' 16' ' ' LEU . 6.3 Cg_exo -35.45 -31.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.583 2.855 . . . . 0.0 113.766 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.066 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -54.0 -43.03 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 111.363 -179.742 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 50' ' ' ILE . 16.5 m-85 -60.62 -50.71 72.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.317 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -74.88 -26.63 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.852 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.64 -48.34 66.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.484 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.066 HD11 HD22 ' A' ' 58' ' ' LEU . 9.8 mt -74.89 -35.01 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.123 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.563 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.6 ttm180 -43.05 -52.48 11.78 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.0 Cg_endo -51.98 -53.11 7.54 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.322 2.015 . . . . 0.0 113.073 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.56 -8.72 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.294 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 62' ' ' ILE . 10.9 mt -84.45 133.57 44.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.751 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 1.7 Cg_endo -45.08 138.42 9.17 Favored 'Trans proline' 0 CA--C 1.508 -0.775 0 C-N-CA 122.948 2.432 . . . . 0.0 112.62 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.3 mt -49.92 -45.72 51.28 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.733 -1.576 . . . . 0.0 111.55 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -56.32 20.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.11 0.481 . . . . 0.0 110.143 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.6 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 m170 -62.32 -23.19 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.606 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.06 -49.58 73.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.067 0.46 . . . . 0.0 109.914 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.45 -53.86 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.978 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.33 -35.48 71.95 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 43' ' ' VAL . 19.3 t80 -60.54 -33.66 72.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -33.22 65.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.364 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.69 -34.39 78.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -72.88 -53.58 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.773 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.81 HD12 HD11 ' B' ' 109' ' ' ILE . 2.9 mm? -57.11 -51.98 67.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.53 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.55 -58.08 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.56 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.81 HD11 HD12 ' B' ' 105' ' ' LEU . 82.0 mt -58.73 -55.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.741 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.5 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.39 -34.37 67.85 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.662 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.53 -32.04 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.1 0.476 . . . . 0.0 109.792 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -82.06 -34.2 29.55 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.863 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 111.003 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.718 0.294 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.054 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.441 ' CG1' ' CD2' ' B' ' 104' ' ' TYR . 39.2 t -52.66 -38.34 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.423 . . . . 0.0 110.135 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.8 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.833 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -38.8 84.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -71.95 -49.5 36.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 13' ' ' VAL . 43.2 t80 -61.98 -39.52 92.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.385 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -73.35 -46.5 48.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -62.04 -42.96 99.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.724 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.77 -56.69 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.29 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 9' ' ' PHE . 49.2 t -53.44 -37.21 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.7 -28.22 62.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -69.6 -32.84 71.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.837 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.5 mt -89.63 -43.25 10.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.935 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.015 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.3 mp -92.69 -64.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.0 1.77 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.606 0.717 . . . . 0.0 111.067 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 1.015 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -90.15 -167.79 1.94 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.771 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.17 -55.58 1.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.13 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 111.235 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.49 -44.49 86.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -34.37 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.21 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.54 -50.61 71.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.009 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.7 t80 -67.27 -46.5 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.872 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.6 tt -57.4 -41.9 81.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.03 -33.87 73.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.43 -33.33 67.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.224 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.5 t -64.18 -54.47 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.778 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.44 -39.33 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.07 0.462 . . . . 0.0 110.249 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -40.06 76.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.596 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 mtp -73.22 -43.89 60.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.612 ' CE1' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.72 -18.26 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.984 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.637 ' HB2' HD13 ' B' ' 109' ' ' ILE . 58.5 t-80 -85.25 -40.46 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' MET . 1.5 t -76.85 -28.41 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.736 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 69.37 41.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.001 0.429 . . . . 0.0 110.756 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 41' ' ' VAL . 27.2 p30 -102.19 112.58 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.4 t -81.72 -23.36 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.69 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' OD2' ' A' ' 38' ' ' ASP . 77.2 t -79.05 -42.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.2 pp -63.5 -40.66 97.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.588 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 39' ' ' VAL . 86.8 t -60.75 -43.42 95.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.915 0.388 . . . . 0.0 110.352 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.55 -47.08 92.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.096 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 50.4 m-20 -61.89 -49.7 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.529 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 62' ' ' ILE . 9.6 mt -50.46 -38.06 41.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' ASN . 3.7 mttp -67.51 -49.7 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.229 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.22 -26.88 12.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.532 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.25 -27.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.751 HD11 HD22 ' A' ' 46' ' ' LEU . 16.2 mt -104.99 25.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.374 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -47.5 -29.0 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.907 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -98.9 153.18 37.95 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.2 Cg_endo -66.34 -20.11 55.38 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.859 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -37.89 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.89 12.31 13.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.676 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.9 mt -51.45 -53.73 46.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -38.52 -28.22 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.449 2.766 . . . . 0.0 113.737 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.797 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.82 -53.16 56.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.605 0.24 . . . . 0.0 111.068 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 50' ' ' ILE . 37.6 m-85 -50.93 -42.48 59.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.474 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -71.56 -29.31 64.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.138 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.17 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.384 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.821 HG13 HD11 ' A' ' 46' ' ' LEU . 1.1 mm -75.23 -35.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.056 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.2 OUTLIER -43.71 -54.11 11.17 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 82.4 Cg_exo -44.46 -54.08 4.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.742 2.295 . . . . 0.0 113.668 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -74.53 -26.38 59.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.149 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.72 133.03 94.07 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.36 139.9 35.69 Favored 'Trans proline' 0 CA--C 1.506 -0.899 0 C-N-CA 122.778 2.319 . . . . 0.0 112.74 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.1 mt -50.22 -37.85 37.41 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.255 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -73.18 -45.03 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.293 0.568 . . . . 0.0 109.695 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.142 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.12 -43.1 99.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.919 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.2 t -63.0 -58.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.038 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.4 -35.04 69.52 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' HG22 ' A' ' 43' ' ' VAL . 58.2 t80 -59.72 -33.56 71.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -33.03 65.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.145 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -65.39 -34.25 77.87 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.441 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 2.5 m-85 -56.46 -38.02 71.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.068 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.857 HD12 HD11 ' B' ' 109' ' ' ILE . 3.0 mm? -59.85 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -64.16 -32.09 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.986 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -58.43 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.857 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.75 61.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.857 HD11 HD12 ' B' ' 105' ' ' LEU . 71.3 mt -56.41 -51.37 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -64.25 -37.13 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.478 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.55 -41.46 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.36 -34.43 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.736 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -59.98 -31.0 69.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.734 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 112' ' ' TYR . 51.6 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.842 0.353 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -57.0 -31.95 65.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.573 HG11 ' HD1' ' B' ' 104' ' ' TYR . 38.3 t -52.41 -38.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.422 . . . . 0.0 110.192 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.56 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.644 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -36.06 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.96 -50.17 37.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.863 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.5 t80 -65.6 -36.26 83.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.175 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -72.56 -44.37 62.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.861 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -44.42 96.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmmm -59.21 -53.72 55.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 9' ' ' PHE . 52.5 t -53.16 -37.29 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.83 -28.77 64.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.59 -32.67 71.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.099 0.476 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -89.44 -50.09 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.052 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB2' ' A' ' 19' ' ' ASN . 10.6 mm -85.37 -61.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.526 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 67.43 3.8 3.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.422 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.809 ' HB2' HG22 ' A' ' 17' ' ' ILE . 2.5 m-20 -102.08 166.83 10.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.983 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -100.72 -47.49 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.07 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -62.06 -45.9 91.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.658 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -61.46 -52.42 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.034 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.26 -44.74 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.735 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 HG11 ' A' ' 13' ' ' VAL . 18.0 tp -57.36 -42.95 83.04 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.7 m-85 -61.17 -32.22 71.95 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.36 -33.08 67.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.221 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' TYR . 55.9 t -64.96 -54.35 30.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.732 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.91 -37.45 82.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.329 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -64.75 -44.2 90.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.893 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -68.15 -37.31 80.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.542 ' OH ' HG22 ' A' ' 39' ' ' VAL . 9.3 t80 -61.08 -37.47 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.616 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HB2' HD13 ' B' ' 109' ' ' ILE . 20.9 t-80 -71.05 -31.31 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -62.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.341 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 32' ' ' MET . 4.6 t -71.89 -26.56 62.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.543 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.18 37.17 9.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.765 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -112.7 111.13 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.995 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 t -68.01 -24.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -24.32 59.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.687 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' HB3' ' A' ' 38' ' ' ASP . 61.5 t -78.95 -43.03 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.4 pp -66.45 -39.46 88.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 39' ' ' VAL . 55.4 t -65.87 -41.73 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.01 -51.97 56.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.072 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.62 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.529 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 50' ' ' ILE . 9.3 mt -51.32 -41.76 60.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' ASN . 18.0 mttt -66.14 -50.32 64.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.8 -26.77 10.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.45 -27.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.255 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.746 HD11 HD22 ' A' ' 46' ' ' LEU . 18.8 mt -101.94 22.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.236 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' LYS . 23.8 p30 -46.12 -29.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.104 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.22 142.64 24.97 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 46.8 Cg_exo -56.23 -26.16 59.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.563 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -59.92 -33.12 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.315 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.6 ' C ' HG23 ' A' ' 50' ' ' ILE . 4.2 mtt85 -87.89 12.03 14.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.676 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 10.5 mt -53.06 -54.68 41.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.99 -27.77 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.42 2.747 . . . . 0.0 113.745 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.75 -33.53 56.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.625 0.25 . . . . 0.0 111.444 -179.659 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 50' ' ' ILE . 20.3 m-85 -68.69 -50.86 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 1.3 t70 -73.34 -23.55 60.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.512 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.78 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.529 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 58' ' ' LEU . 13.1 mt -75.3 -35.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -43.12 -52.59 11.87 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 91.0 Cg_exo -41.16 -53.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.797 2.331 . . . . 0.0 113.44 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -74.18 -25.73 59.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 HG22 ' A' ' 62' ' ' ILE . 60.0 mt -65.91 128.28 93.71 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.752 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.1 Cg_endo -47.98 161.55 0.35 Allowed 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.693 2.262 . . . . 0.0 112.741 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -28.09 66.48 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 113.781 -1.554 . . . . 0.0 111.968 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -78.98 -47.83 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.076 0.465 . . . . 0.0 110.052 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 54.2 m170 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.22 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -61.23 -49.47 77.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 110.129 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.84 -53.32 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -33.85 70.11 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 43' ' ' VAL . 89.5 t80 -62.34 -34.25 76.29 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.15 -35.99 66.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.03 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.85 -31.79 72.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.791 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.795 0.331 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.573 ' HD1' HG11 ' A' ' 5' ' ' VAL . 24.3 m-85 -53.76 -52.56 59.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.119 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -58.56 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.787 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -59.89 -34.02 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.12 -58.19 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.22 73.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.603 HD11 HD23 ' B' ' 105' ' ' LEU . 68.5 mt -56.56 -55.44 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.34 -35.15 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.0 -43.03 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.073 0.463 . . . . 0.0 109.808 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.855 ' HA ' HD12 ' B' ' 115' ' ' ILE . 4.7 t80 -70.12 -35.56 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.63 -29.05 67.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.72 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -81.9 -36.35 28.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.798 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' B' ' 112' ' ' TYR . 46.7 mt . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.11 70.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.51 -35.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.253 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.75 -36.3 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.823 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -36.31 80.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.97 -49.15 39.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.284 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 51.0 t80 -63.17 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.086 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -73.17 -50.01 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 6.6 t-160 -60.89 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.3 mmtp -59.27 -57.96 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 55.9 t -53.62 -37.56 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -72.95 -28.79 62.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' NE2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -69.7 -30.61 68.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 110.618 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -93.25 -49.23 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.302 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.014 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.2 mp -73.79 -51.56 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 55.96 3.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 0.0 111.95 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 1.014 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.8 m120 -110.45 159.33 17.59 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.818 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.2 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.12 88.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.3 -46.82 78.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.694 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -62.3 -31.95 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.236 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -51.05 69.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.887 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 29' ' ' VAL . 72.1 t80 -67.19 -45.71 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.577 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 HG11 ' A' ' 13' ' ' VAL . 43.9 tp -57.48 -41.69 81.18 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' CD2' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.33 -33.54 73.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.22 -33.17 67.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 ' CG1' HD23 ' A' ' 42' ' ' LEU . 99.8 t -62.11 -51.81 67.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.484 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.35 -40.56 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.532 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.97 -37.55 88.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.99 -47.09 54.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.787 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.857 ' CG ' HD12 ' A' ' 42' ' ' LEU . 14.0 t80 -56.15 -42.13 76.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -69.46 -30.18 68.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.983 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -77.99 -57.81 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.985 0.422 . . . . 0.0 111.372 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 32' ' ' MET . 2.7 t -77.59 -22.83 50.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.445 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 12.5 mmt 61.02 47.95 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.708 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.6 t0 -124.66 113.74 18.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.849 ' O ' HG23 ' A' ' 43' ' ' VAL . 40.8 t -65.51 -23.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.963 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.58 -23.99 62.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.197 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ASP . 67.2 t -75.85 -54.12 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.514 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.857 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -55.23 -41.07 71.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.634 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 39' ' ' VAL . 43.2 t -65.35 -49.22 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.33 46.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 29' ' ' VAL . 13.5 m-20 -62.1 -42.62 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.327 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -51.95 -42.43 62.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ASN . 27.0 mmtt -66.02 -50.52 63.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.381 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 45' ' ' ASP . 42.1 mt -51.83 -26.03 9.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.675 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -99.3 -27.73 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.743 HD11 HD22 ' A' ' 46' ' ' LEU . 17.3 mt -104.31 25.11 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -47.03 -28.84 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.932 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -97.7 152.49 38.17 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.1 Cg_endo -67.16 -18.87 51.21 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.775 2.317 . . . . 0.0 112.808 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -66.83 -38.85 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.247 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.639 ' C ' HG23 ' A' ' 50' ' ' ILE . 7.1 mtt180 -87.83 9.8 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.714 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.692 HD23 ' HE2' ' A' ' 59' ' ' PHE . 6.7 mt -53.3 -45.76 98.24 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 81.8 Cg_exo -43.05 -24.74 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.764 2.31 . . . . 0.0 113.639 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.985 HD22 HD11 ' A' ' 62' ' ' ILE . 3.6 mt -53.89 -44.93 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.368 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HE2' HD23 ' A' ' 56' ' ' LEU . 34.1 m-85 -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.367 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 9.7 t70 -74.86 -28.56 60.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.66 69.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.622 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.985 HD11 HD22 ' A' ' 58' ' ' LEU . 12.1 mt -74.92 -35.66 36.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -43.84 -54.06 11.58 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -178.706 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.457 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.2 Cg_exo -43.98 -53.11 4.89 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.131 2.554 . . . . 0.0 113.964 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -73.33 -7.0 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -86.16 141.97 35.55 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.954 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.62 137.6 1.62 Allowed 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 122.895 2.397 . . . . 0.0 113.233 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.11 -25.02 3.08 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.732 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -88.64 -34.99 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 51.4 m170 -75.34 -31.17 60.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.934 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' HD23 ' A' ' 68' ' ' LEU . 15.6 pt20 -63.85 -40.99 97.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.053 0.454 . . . . 0.0 109.808 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.5 t -65.56 -57.71 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.971 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -58.17 -34.65 70.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.7 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 10.0 t80 -61.24 -33.79 74.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.05 -34.15 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.094 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -65.89 -31.69 72.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.593 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.02 -48.89 72.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -57.13 -52.15 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.747 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -57.04 -32.27 66.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -58.1 9.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.17 83.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.12 -55.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.578 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.07 -33.32 75.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.39 -43.84 71.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 109.934 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.637 ' HA ' HD12 ' B' ' 115' ' ' ILE . 13.6 t80 -72.26 -34.32 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.616 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.92 -31.63 71.15 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.08 -32.32 30.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.836 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.9 mt . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.98 -32.06 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.57 HG11 ' HD1' ' B' ' 104' ' ' TYR . 41.0 t -52.49 -37.13 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.136 0.493 . . . . 0.0 110.217 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.88 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.8 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -39.54 84.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.82 -47.02 56.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.8 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.7 t80 -66.79 -35.65 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.24 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -74.39 -45.5 46.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.665 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.77 -42.61 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.784 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.8 mmtm -59.35 -57.6 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 9' ' ' PHE . 58.5 t -53.4 -37.26 28.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.811 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.56 -31.79 70.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.138 0.494 . . . . 0.0 110.633 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -93.26 -34.93 13.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.054 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.912 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.9 mp -95.47 -67.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.969 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.6 3.41 1.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.335 0.588 . . . . 0.0 112.023 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.912 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 m120 -108.03 126.51 52.81 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.667 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.95 -46.01 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.92 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HB2' HG23 ' A' ' 17' ' ' ILE . 12.9 mt-10 -64.5 -45.36 87.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.478 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.22 -31.93 73.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.091 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.99 -51.71 66.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.018 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 t80 -67.22 -46.35 74.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 26' ' ' LEU . 2.0 tt -57.43 -41.19 79.97 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.5 m-85 -60.5 -34.18 73.69 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.4 -32.84 66.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.304 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 25' ' ' TYR . 61.4 t -65.62 -54.44 28.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.25 -37.42 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.322 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -44.71 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.879 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.12 -40.95 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.436 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.63 -38.54 78.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' HB2' HD13 ' B' ' 109' ' ' ILE . 18.6 t60 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -56.22 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 32' ' ' MET . 2.1 t -77.57 -26.98 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.296 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.9 40.0 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.7 t70 -117.77 112.44 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 t -68.16 -23.35 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 38' ' ' ASP . 88.4 t -78.58 -45.7 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.1 pp -63.42 -39.2 93.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.2 t -64.74 -42.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -52.69 50.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.992 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.95 -43.17 99.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.753 HD22 HD11 ' A' ' 50' ' ' ILE . 10.2 mt -52.25 -36.82 53.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.408 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -69.19 -50.41 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.123 0.487 . . . . 0.0 110.244 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -26.57 11.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.722 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 t -100.46 -28.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.753 HD11 HD22 ' A' ' 46' ' ' LEU . 31.6 mt -104.48 25.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.8 p-10 -48.11 -28.11 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.001 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.84 152.02 37.88 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.524 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.6 Cg_endo -66.64 -18.86 54.14 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.731 2.287 . . . . 0.0 112.752 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 m -64.53 -37.78 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' HG23 ' A' ' 50' ' ' ILE . 26.3 mtt180 -88.05 11.65 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.635 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 53' ' ' PRO . 6.2 mt -53.57 -45.85 98.45 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.7 Cg_exo -41.95 -28.27 0.76 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.695 2.263 . . . . 0.0 113.482 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.893 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -55.35 -42.51 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -60.77 -46.93 88.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.052 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -75.08 -29.39 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.795 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.5 66.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.663 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.893 HD11 HD22 ' A' ' 58' ' ' LEU . 14.4 mt -74.61 -34.74 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.117 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.65 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.04 -54.06 9.58 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.749 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 19.2 Cg_endo -59.17 -52.98 4.03 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.349 2.033 . . . . 0.0 113.276 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -59.47 -20.6 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.599 0.238 . . . . 0.0 111.63 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -81.08 144.11 54.07 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.652 0.263 . . . . 0.0 111.194 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 99.7 Cg_exo -42.41 139.81 2.78 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 113.291 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.589 HD23 HE21 ' A' ' 71' ' ' GLN . 5.1 mt -49.98 -36.28 27.61 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -73.86 -46.2 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.323 0.583 . . . . 0.0 109.578 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 67' ' ' PRO . 11.9 m170 -63.71 -27.71 69.4 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.109 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.589 HE21 HD23 ' A' ' 68' ' ' LEU . 7.2 mt-30 -58.64 -54.16 50.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.53 -52.55 58.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.131 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.74 -35.12 68.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.738 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.511 ' HE2' HD11 ' A' ' 42' ' ' LEU . 9.8 t80 -61.02 -33.86 73.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -34.66 66.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.329 178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.62 -31.32 72.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.57 ' HD1' HG11 ' A' ' 5' ' ' VAL . 98.5 m-85 -59.62 -37.76 79.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.677 HD23 HD11 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -59.28 -52.04 67.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.31 -58.2 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -46.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.677 HD11 HD23 ' B' ' 105' ' ' LEU . 79.0 mt -56.55 -55.43 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -63.99 -35.42 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -54.18 -42.03 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 16.7 t80 -72.43 -33.9 67.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.606 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.36 -32.12 70.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.08 -32.97 30.05 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.569 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -31.87 34.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.652 0.263 . . . . 0.0 111.358 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' B' ' 104' ' ' TYR . 44.6 t -52.31 -37.48 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.277 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.06 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.733 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.04 83.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.71 -43.08 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.867 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -63.27 -44.97 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.294 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -72.3 -45.45 59.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -41.31 97.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmtp -60.94 -53.66 54.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.428 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.5 t -53.25 -37.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.75 -28.54 64.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -31.96 70.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.128 0.489 . . . . 0.0 110.311 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.3 mt -88.37 -51.97 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.159 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.891 HG22 ' HB2' ' A' ' 19' ' ' ASN . 7.1 mm -86.09 -58.71 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.373 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 66.2 3.75 2.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.571 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.891 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.5 m-20 -99.14 178.74 4.82 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.737 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -111.99 -46.96 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.52 85.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.047 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 17' ' ' ILE . 2.1 mp0 -67.27 -46.95 72.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.29 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.98 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.01 -50.76 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.893 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 t80 -67.27 -46.17 74.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.542 ' CD2' HD11 ' A' ' 30' ' ' LEU . 6.7 tt -57.38 -42.04 81.37 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.0 m-85 -61.91 -32.47 72.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -33.48 67.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.161 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' TYR . 58.8 t -63.38 -54.39 33.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 CA-C-O 120.873 0.368 . . . . 0.0 110.641 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 26' ' ' LEU . 1.6 mt -62.79 -33.06 74.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.134 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -65.34 -40.77 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -77.76 -31.63 52.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.184 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' OH ' HG22 ' A' ' 39' ' ' VAL . 15.2 t80 -66.05 -31.37 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.419 ' O ' ' HE2' ' A' ' 37' ' ' MET . 41.3 t-80 -68.94 -34.85 76.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -55.3 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 32' ' ' MET . 10.2 t -75.67 -30.18 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.54 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.419 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 6.7 mmt 62.19 41.15 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.609 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 41' ' ' VAL . 87.9 m-20 -111.61 110.58 21.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 43' ' ' VAL . 42.2 t -66.3 -24.58 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.76 -25.71 59.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' ASP . 50.1 t -78.97 -45.54 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.92 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.3 pp -64.34 -39.4 93.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.4 t -67.76 -40.93 84.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.445 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.5 -54.39 36.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.082 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -51.3 -37.51 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.701 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.4 mttt -69.27 -49.79 52.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.98 -27.2 12.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.609 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -99.61 -27.84 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.513 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 50' ' ' ILE . 41.6 mt -102.54 23.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' LYS . 14.1 t30 -48.57 -27.54 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.106 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 8.5 mt-10 -96.26 142.57 24.75 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.749 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 31.8 Cg_exo -58.51 -18.96 42.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.531 2.154 . . . . 0.0 112.76 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -38.52 90.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.399 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.87 8.3 26.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.79 -179.579 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 6.6 mt -50.19 -53.44 44.07 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.0 Cg_exo -36.18 -30.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.49 2.793 . . . . 0.0 113.746 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.023 HD22 HD11 ' A' ' 62' ' ' ILE . 1.5 mt -53.76 -44.92 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 50' ' ' ILE . 47.0 m-85 -57.9 -50.7 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.252 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -74.41 -25.13 59.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -50.5 53.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.716 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.023 HD11 HD22 ' A' ' 58' ' ' LEU . 6.0 mt -75.01 -35.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.6 -54.35 10.46 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.509 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 86.8 Cg_exo -46.87 -53.02 6.76 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.942 2.428 . . . . 0.0 113.515 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.0 -25.57 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.09 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER -71.08 139.68 85.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.187 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -37.68 137.09 0.41 Allowed 'Trans proline' 0 CA--C 1.509 -0.752 0 C-N-CA 123.433 2.755 . . . . 0.0 113.213 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.19 -37.84 37.05 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.628 -1.623 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -71.78 -45.51 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 0.0 109.864 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 33.4 m170 -66.24 -25.11 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.17 -52.84 63.15 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.66 -50.51 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.899 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.6 -36.33 73.85 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' HE2' HD11 ' A' ' 42' ' ' LEU . 10.9 t80 -58.05 -33.67 69.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -48.79 33.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.095 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -66.51 -16.83 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.531 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.333 -0.147 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.872 0.368 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.499 ' CD2' HG11 ' A' ' 5' ' ' VAL . 81.6 m-85 -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -59.02 -52.07 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.32 71.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -58.0 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.15 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.5 mt -57.66 -55.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.27 -34.55 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.69 -41.25 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.112 0.482 . . . . 0.0 109.834 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' ILE . 1.9 t80 -72.03 -33.91 68.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -31.3 69.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.706 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -82.16 -34.63 29.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.56 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.734 0.302 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -73.42 -31.97 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' B' ' 104' ' ' TYR . 40.0 t -52.54 -33.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 108' ' ' ALA . . . -72.74 -38.71 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.583 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -67.68 -36.19 80.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.731 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -46.71 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.588 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.7 t80 -63.54 -40.07 96.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.71 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.92 -39.57 94.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 21.5 mmtt -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 9' ' ' PHE . 63.4 t -53.42 -38.55 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.606 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.16 -27.81 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.108 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -31.27 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.003 0.43 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -92.87 -48.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.195 -179.376 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.922 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.7 mp -90.08 -58.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.83 0.6 3.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.863 0.839 . . . . 0.0 110.058 -178.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.922 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.5 t-20 -95.86 169.31 10.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.495 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 96.3 m-20 -103.77 -47.27 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.65 75.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.398 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.06 -47.28 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.0 ptpt -66.54 -29.33 69.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -49.57 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.631 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.4 t80 -67.2 -47.2 71.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.41 -39.26 75.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD2' ' CZ ' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.59 -33.94 74.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.32 -35.7 68.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.071 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.753 ' CG1' HD23 ' A' ' 42' ' ' LEU . 28.3 t -63.31 -45.89 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 5.3 mt -63.23 -41.02 99.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.965 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -55.15 -40.3 70.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.324 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -66.04 -49.19 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.339 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CG ' HD12 ' A' ' 42' ' ' LEU . 61.7 t80 -56.25 -24.94 45.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.491 ' HB2' HD13 ' B' ' 109' ' ' ILE . 48.5 t-80 -73.94 -47.67 35.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 32' ' ' MET . 2.0 t -77.25 -31.07 54.74 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.6 mmt 63.86 49.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.827 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.561 ' OD2' HG21 ' A' ' 41' ' ' VAL . 15.4 p30 -105.76 108.97 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.56 -27.06 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.47 67.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.561 HG21 ' OD2' ' A' ' 38' ' ' ASP . 86.5 t -79.0 -44.6 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.753 HD23 ' CG1' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -56.29 -43.06 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.679 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 39' ' ' VAL . 31.4 t -63.94 -50.04 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.03 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -52.98 41.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.234 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.65 -43.03 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 9.4 mt -52.63 -35.55 54.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.47 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 23.8 mmtp -70.78 -50.55 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.86 -26.73 10.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.63 -27.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.425 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 50' ' ' ILE . 45.4 mt -103.62 24.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.01 -28.28 1.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.019 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.08 155.85 36.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.695 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -68.94 -22.74 35.5 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.602 2.202 . . . . 0.0 112.823 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -61.1 -35.96 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.7 mpt_? -88.14 14.26 9.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.713 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.5 mt -56.89 -46.71 99.83 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 90.8 Cg_exo -43.92 -25.81 1.17 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.849 2.366 . . . . 0.0 113.58 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -53.89 -48.27 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.662 ' HE2' HD23 ' A' ' 56' ' ' LEU . 12.6 m-85 -52.91 -50.78 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -74.31 -24.77 59.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.792 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.64 59.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.567 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 46' ' ' LEU . 32.2 mt -75.06 -35.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.02 9.93 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.0 Cg_exo -42.3 -53.68 3.51 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.816 2.344 . . . . 0.0 113.431 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.19 -26.44 60.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.672 HG13 HG22 ' A' ' 62' ' ' ILE . 45.4 mt -67.2 130.31 93.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.7 Cg_exo -40.28 138.93 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.071 2.514 . . . . 0.0 112.885 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.1 mt -49.96 -45.67 51.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.57 -1.65 . . . . 0.0 111.645 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.32 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.115 0.483 . . . . 0.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.8 m170 -67.58 -26.74 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -62.67 -46.76 86.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.032 0.444 . . . . 0.0 109.828 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.17 -55.6 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.945 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.7 mt-10 -58.4 -34.81 71.14 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.642 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.08 -33.42 72.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -72.69 -39.18 67.25 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.188 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -66.42 -24.71 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' GLU . 3.1 mt . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.806 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.788 0.328 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.619 ' CD2' HG21 ' A' ' 5' ' ' VAL . 82.2 m-85 -69.85 -31.03 68.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.599 ' HG ' HD12 ' B' ' 109' ' ' ILE . 40.2 tp -65.65 -52.21 53.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -57.62 -58.18 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . . . -70.01 -41.01 74.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.599 HD12 ' HG ' ' B' ' 105' ' ' LEU . 11.9 mt -56.37 -55.52 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.59 -35.87 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.598 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -43.48 66.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.115 0.483 . . . . 0.0 109.866 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.754 ' HA ' HD12 ' B' ' 115' ' ' ILE . 37.8 t80 -71.07 -33.77 70.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.563 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -60.34 -31.16 70.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.754 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.66 30.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.8 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.958 0.409 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -64.29 -31.75 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' B' ' 104' ' ' TYR . 39.9 t -52.49 -34.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 7.9 mtm180 -67.91 -41.22 83.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.533 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -31.82 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.6 t80 -75.98 -41.2 52.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 109.996 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -41.35 60.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.597 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 14.7 m170 -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.692 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.2 mmtp -59.24 -57.87 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 46.3 t -53.32 -37.65 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.689 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.09 -30.93 71.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.569 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -32.5 71.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.15 0.5 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 57' ' ' PRO . 2.9 mt -82.95 -50.86 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.244 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -76.12 -56.93 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.0 111.669 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 65.1 4.23 2.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.359 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.4 t30 -110.16 -171.46 1.84 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.6 -47.17 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.39 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' OE1' HG23 ' A' ' 17' ' ' ILE . 19.0 mt-10 -66.38 -46.89 75.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 16.1 ttmt -63.82 -31.56 72.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.188 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.05 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.27 -45.69 75.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.759 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 58' ' ' LEU . 1.9 tp -57.46 -44.14 84.59 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -60.06 -33.37 71.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 177.229 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.4 -32.83 66.71 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.155 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' TYR . 43.8 t -69.78 -47.38 70.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.548 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.0 -33.78 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -46.33 75.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.543 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 10.7 ptm -69.61 -33.04 72.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 42' ' ' LEU . 2.0 t80 -62.01 -43.01 99.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.527 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -72.65 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 5.0 t -77.57 -23.94 49.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.225 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.32 37.37 4.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.897 0.38 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.699 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.7 m-20 -109.71 110.71 21.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.5 t -72.16 -25.46 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.045 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.14 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 38' ' ' ASP . 58.9 t -78.98 -45.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.6 pp -63.19 -38.91 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.573 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 39' ' ' VAL . 60.8 t -63.48 -43.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.598 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.35 -55.32 31.38 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.162 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.451 ' HB2' HG11 ' A' ' 29' ' ' VAL . 3.1 m-20 -59.7 -43.11 94.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -50.33 -43.58 54.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -65.86 -48.81 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.77 -27.12 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 t -98.8 -28.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 46' ' ' LEU . 14.9 mt -101.7 23.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.7 p30 -46.94 -28.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 23.3 mm-40 -98.56 140.97 22.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 43.6 Cg_exo -56.79 -23.0 47.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.638 2.225 . . . . 0.0 112.633 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -58.99 -36.42 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.488 ' CB ' HG23 ' A' ' 50' ' ' ILE . 38.2 mtt85 -87.94 16.67 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.808 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 14.0 mt -52.98 -47.38 95.78 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 16' ' ' LEU . 85.9 Cg_exo -42.73 -28.98 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.76 2.306 . . . . 0.0 113.343 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -57.06 -33.57 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.148 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 50' ' ' ILE . 22.0 m-85 -71.09 -46.74 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.8 m-20 -75.19 -27.78 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -50.83 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 15.1 mt -74.8 -34.6 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.254 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 66' ' ' ILE . 31.6 ttt180 -43.6 -52.88 13.08 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 15.0 Cg_endo -57.9 -53.07 4.81 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.511 2.14 . . . . 0.0 113.529 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -67.41 -10.61 52.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.212 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -85.17 145.01 42.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 110.905 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 96.8 Cg_exo -42.3 138.4 3.19 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.861 2.374 . . . . 0.0 113.188 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.12 -42.99 51.5 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 113.572 -1.649 . . . . 0.0 111.302 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -72.2 -37.9 69.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 109.705 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.6 m170 -67.25 -26.18 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.482 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.1 mt-30 -60.81 -50.89 71.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 109.958 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.53 -52.59 59.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.892 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.47 -33.7 70.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.642 ' CE1' HG22 ' A' ' 43' ' ' VAL . 53.9 t80 -61.11 -33.55 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.73 -40.43 66.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.133 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.33 -26.17 67.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.82 -179.149 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.677 ' HD2' HG11 ' A' ' 5' ' ' VAL . 25.1 m-85 -72.8 -34.51 66.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.2 -50.52 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -34.41 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -58.06 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.02 -37.38 84.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.683 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.85 -55.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.812 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -35.23 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.729 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.01 -43.61 70.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 109.79 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 56.3 t80 -70.3 -33.83 72.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.537 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.75 -30.52 68.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.751 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.02 -35.26 29.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.743 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 27.9 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.53 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG21 ' HE1' ' B' ' 104' ' ' TYR . 44.4 t -52.32 -33.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.07 0.462 . . . . 0.0 110.251 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -40.55 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.67 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -67.76 -39.13 84.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.731 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -72.53 -36.83 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.271 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.3 t80 -69.34 -43.66 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.19 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -43.06 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -45.44 94.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.55 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.21 -53.26 60.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' PHE . 51.1 t -53.39 -37.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.545 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -72.14 -27.47 62.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -69.74 -33.68 72.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.061 0.458 . . . . 0.0 110.568 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -91.54 -47.04 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.977 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.948 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.5 mp -81.76 -65.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 62.53 3.4 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.334 0.588 . . . . 0.0 111.892 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.948 ' H ' HG22 ' A' ' 17' ' ' ILE . 7.4 m-20 -107.37 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.44 -42.75 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.26 95.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.192 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' HG23 ' A' ' 17' ' ' ILE . 3.4 mt-10 -67.64 -45.29 75.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -65.55 -33.09 75.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.146 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.48 -48.11 81.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 t80 -67.26 -49.35 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.688 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -57.31 -39.36 75.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.795 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 2.4 m-85 -62.01 -34.26 75.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.53 66.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.261 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.7 t -67.77 -54.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.85 -38.02 77.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -44.29 93.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.445 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.895 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 mmm -71.05 -44.07 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.18 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 9.9 t80 -56.4 -26.13 52.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.745 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HB2' HD13 ' B' ' 109' ' ' ILE . 39.3 t60 -74.53 -42.74 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.167 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -62.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.81 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 32' ' ' MET . 6.2 t -65.91 -26.37 67.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.605 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 10.0 mmt 60.66 30.72 19.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.759 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.649 ' HB3' HG23 ' A' ' 41' ' ' VAL . 2.6 m-20 -99.29 112.74 24.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.8 t -77.02 -25.24 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.1 61.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.474 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 38' ' ' ASP . 60.4 t -78.9 -44.34 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.028 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.65 -36.31 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.475 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' VAL . 95.8 t -63.31 -44.83 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.463 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.57 44.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.975 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m-20 -60.0 -41.65 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -53.02 -39.87 63.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.795 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -66.79 -50.32 63.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.149 0.5 . . . . 0.0 110.23 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.3 mt -51.89 -26.64 10.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.541 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' ASP . 24.6 t -98.48 -27.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.341 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.729 HD11 HD22 ' A' ' 46' ' ' LEU . 23.6 mt -101.17 22.2 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.055 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.38 150.28 36.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.4 Cg_exo -61.6 -25.97 79.86 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.587 2.192 . . . . 0.0 112.579 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.551 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.14 17.62 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.807 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.8 -45.82 99.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HG2' HD22 ' A' ' 16' ' ' LEU . 85.8 Cg_exo -47.56 -23.0 3.22 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.711 2.274 . . . . 0.0 113.519 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.965 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -53.96 -44.34 70.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.686 0.279 . . . . 0.0 111.499 -179.471 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.4 m-85 -57.9 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.336 . . . . 0.0 111.244 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -74.9 -25.27 58.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.95 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.563 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 58' ' ' LEU . 16.6 mt -75.07 -35.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.4 ttp180 -43.25 -53.43 11.08 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 87.6 Cg_exo -45.49 -53.23 5.72 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.255 . . . . 0.0 112.941 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD21 HG23 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -73.79 -14.48 61.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.248 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 62' ' ' ILE . 43.8 mt -82.82 135.45 45.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.065 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.3 Cg_exo -41.85 140.33 2.04 Favored 'Trans proline' 0 CA--C 1.51 -0.685 0 C-N-CA 123.109 2.539 . . . . 0.0 112.872 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.22 -45.01 53.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.774 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -66.54 -46.82 74.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.12 0.486 . . . . 0.0 110.111 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.535 ' CG ' HG21 ' A' ' 39' ' ' VAL . 36.1 m170 -64.99 -28.09 69.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.424 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 66' ' ' ILE . 35.4 mt-30 -60.97 -47.19 87.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.975 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.8 t -61.39 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.154 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.78 -36.14 69.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.837 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 43' ' ' VAL . 66.3 t80 -59.61 -33.53 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -72.91 -37.06 67.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.286 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.53 -27.18 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.739 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.331 -0.203 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HE1' HG21 ' A' ' 5' ' ' VAL . 2.5 m-85 -61.83 -54.01 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.663 HD22 HD11 ' B' ' 109' ' ' ILE . 2.2 mt -56.44 -52.0 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.77 -32.17 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -58.15 9.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -45.65 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.663 HD11 HD22 ' B' ' 105' ' ' LEU . 86.9 mt -56.61 -55.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.984 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -35.44 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.22 -41.92 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 109.902 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.0 t80 -72.3 -33.79 67.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.657 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.52 -31.87 70.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.734 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.21 -32.96 29.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.711 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -32.02 72.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' B' ' 104' ' ' TYR . 41.0 t -52.52 -35.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.06 0.457 . . . . 0.0 110.121 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -39.13 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.608 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -38.14 83.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.06 -41.31 67.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t80 -68.36 -43.52 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.323 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -40.1 66.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -46.06 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.779 0.323 . . . . 0.0 110.634 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.4 mmtp -59.53 -52.04 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.6 t -53.37 -37.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.777 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.47 -28.74 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.028 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.95 -32.68 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.999 0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -93.31 -43.6 8.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.406 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.96 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.7 mp -87.88 -62.78 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.171 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 61.08 3.62 0.72 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.299 0.571 . . . . 0.0 111.905 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.96 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -105.22 135.29 46.84 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.67 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.04 -51.66 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.18 92.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.735 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 50.2 mt-10 -68.38 -42.6 78.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.398 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 2.5 ttmp? -58.88 -28.9 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 -52.0 45.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.205 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.766 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.2 -32.99 74.42 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.154 -0.619 . . . . 0.0 111.463 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.015 HD11 HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -68.68 -48.07 64.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.28 -34.74 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 45' ' ' ASP . 71.6 t -62.66 -53.82 41.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.594 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.07 -39.6 92.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.255 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -63.18 -40.16 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.557 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.897 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -70.34 -42.08 72.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.934 0.397 . . . . 0.0 110.476 179.618 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.0 t80 -59.66 -31.71 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.834 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -84.61 -30.28 25.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.1 -62.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 32' ' ' MET . 9.2 t -73.91 -21.69 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.434 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt 61.37 45.09 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.948 0.404 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -125.06 112.55 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.1 t -67.7 -23.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.92 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 0.0 110.427 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 38' ' ' ASP . 63.3 t -78.95 -37.72 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -66.72 -39.01 87.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.261 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 39' ' ' VAL . 50.5 t -65.37 -47.76 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.18 41.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.126 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.787 ' HB3' HG22 ' A' ' 29' ' ' VAL . 25.6 m-20 -59.73 -40.92 89.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.939 0.399 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 HD11 ' A' ' 50' ' ' ILE . 11.0 mt -58.52 -29.76 66.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.4 mmtp -71.5 -50.81 27.78 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.71 -20.09 54.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.524 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.766 HG22 ' CE1' ' A' ' 25' ' ' TYR . 54.0 t -99.53 -29.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.199 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 HD22 ' A' ' 46' ' ' LEU . 27.6 mt -107.24 21.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.374 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 5.8 p30 -50.25 -27.52 6.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.956 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.63 147.32 33.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' O ' HD12 ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.77 -27.84 79.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.473 2.116 . . . . 0.0 112.48 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -59.97 -37.63 80.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.654 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.15 17.41 5.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.785 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.2 mt -61.45 -44.02 91.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.649 ' HG2' HD22 ' A' ' 16' ' ' LEU . 83.2 Cg_exo -46.19 -23.02 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.683 2.256 . . . . 0.0 113.382 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.026 HD22 HD11 ' A' ' 62' ' ' ILE . 3.4 mt -53.89 -40.34 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.636 0.255 . . . . 0.0 111.486 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 50' ' ' ILE . 92.6 m-85 -61.85 -50.89 70.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 111.337 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.31 -28.2 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.62 -49.78 61.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.026 HD11 HD22 ' A' ' 58' ' ' LEU . 5.5 mt -75.2 -34.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.573 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -42.92 -50.59 13.39 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.728 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 7.4 Cg_endo -49.68 -53.24 7.37 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.297 1.998 . . . . 0.0 112.916 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.68 -8.85 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 111.215 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 62' ' ' ILE . 38.1 mt -84.6 128.85 59.58 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' B' ' 105' ' ' LEU . 96.9 Cg_exo -43.26 141.05 3.35 Favored 'Trans proline' 0 CA--C 1.509 -0.749 0 C-N-CA 122.996 2.464 . . . . 0.0 113.141 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -50.18 -46.56 54.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 1.1 ptpp? -67.18 -41.7 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.482 . . . . 0.0 109.98 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 49.5 m170 -66.61 -30.12 70.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.243 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.91 -45.76 93.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.07 -55.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.852 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.35 -35.18 69.59 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG22 ' A' ' 43' ' ' VAL . 27.1 t80 -59.8 -33.51 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -36.63 66.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.186 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -65.76 -30.36 71.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.702 0.287 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.434 ' CD1' HG11 ' A' ' 5' ' ' VAL . 1.8 m-85 -57.59 -52.26 66.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.53 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -58.23 -52.37 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.75 -33.55 73.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.64 -58.13 9.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.54 -41.92 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 105' ' ' LEU . 71.8 mt -56.91 -55.49 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.23 -35.08 79.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.91 -43.33 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 109.797 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.878 ' HA ' HD12 ' B' ' 115' ' ' ILE . 65.1 t80 -70.64 -34.24 71.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -29.75 69.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.742 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -35.29 29.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.562 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' B' ' 112' ' ' TYR . 8.3 mt . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -61.07 -31.89 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -52.24 -33.48 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.225 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' NH2' ' A' ' 10' ' ' ARG . . . -72.6 -41.36 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.669 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.4 ttp180 -67.86 -38.43 83.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.42 -47.71 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.474 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.826 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.0 t80 -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.171 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' NH2' ' HB1' ' A' ' 6' ' ' ALA . 21.9 ttm105 -71.64 -49.24 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.924 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 3.6 t-160 -59.26 -44.01 92.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.073 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -59.28 -53.77 54.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 9' ' ' PHE . 44.5 t -58.05 -39.63 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 18' ' ' GLU . 35.4 t70 -72.99 -22.72 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' CD2' ' A' ' 11' ' ' HIS . 1.1 m-85 -69.33 -54.91 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.259 0.552 . . . . 0.0 110.086 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -64.93 -41.93 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.521 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.873 HG13 HD12 ' A' ' 16' ' ' LEU . 10.1 mt -88.37 -63.71 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 27.3 tt0 68.1 3.68 3.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.187 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.861 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 t-20 -102.95 163.56 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.774 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.04 -45.32 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.97 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.62 -45.05 88.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.453 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 9.1 ttmt -64.76 -32.96 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.143 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -47.31 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -67.31 -48.66 66.96 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -57.23 -42.53 81.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 0.4 OUTLIER -60.32 -34.92 74.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.154 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -31.06 65.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.196 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.5 t -69.45 -54.33 20.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 9' ' ' PHE . 17.0 mt -59.8 -37.23 78.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.53 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.796 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.875 ' O ' HG22 ' A' ' 36' ' ' THR . 8.7 ptm -73.49 -30.26 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.852 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.6 t80 -62.64 -41.58 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.17 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.01 -59.58 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 32' ' ' MET . 4.5 t -74.97 -25.6 58.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.277 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.49 48.94 4.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 41' ' ' VAL . 10.6 m-20 -121.29 107.89 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.852 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.2 t -69.54 -25.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.323 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -25.47 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.435 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.9 -43.19 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 66' ' ' ILE . 1.2 pp -65.61 -37.91 87.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.6 t -65.72 -42.64 92.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.41 -54.03 41.04 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.198 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.93 -44.53 97.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.6 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.36 -39.3 46.07 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ASN . 10.3 mttm -68.39 -49.5 59.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -52.03 -26.46 10.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.614 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.39 -27.81 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.777 HD11 HD22 ' A' ' 46' ' ' LEU . 24.2 mt -102.9 23.69 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.224 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -49.71 -27.44 4.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -100.21 144.25 28.05 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.4 Cg_exo -57.16 -24.79 60.68 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.509 2.139 . . . . 0.0 112.61 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -56.51 -38.38 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.373 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.02 15.52 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.743 -179.765 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.9 mt -53.77 -46.66 98.31 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HB2' HD22 ' A' ' 16' ' ' LEU . 80.9 Cg_exo -42.42 -28.88 1.08 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.693 2.262 . . . . 0.0 113.373 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 62' ' ' ILE . 1.1 mt -60.39 -41.74 94.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 111.138 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' A' ' 50' ' ' ILE . 34.6 m-85 -60.23 -50.66 72.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 10.4 t70 -75.25 -27.27 59.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.88 -52.39 37.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.897 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.953 HD11 HD22 ' A' ' 58' ' ' LEU . 17.9 mt -74.91 -34.91 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.265 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.605 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -43.41 -54.03 10.55 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -52.07 -53.15 7.45 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.785 2.324 . . . . 0.0 114.03 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -68.0 -10.46 53.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.641 HD11 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -85.22 141.22 37.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.68 0.276 . . . . 0.0 111.052 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.9 140.37 3.06 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 122.918 2.412 . . . . 0.0 113.146 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.01 -42.4 49.15 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.289 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -39.37 75.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.232 0.539 . . . . 0.0 109.638 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.591 ' CG ' HG21 ' A' ' 39' ' ' VAL . 41.2 m170 -66.13 -31.4 72.23 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.173 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.0 mt-30 -58.57 -49.2 78.3 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -58.44 -54.28 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.783 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.35 -33.1 67.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.514 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 42' ' ' LEU . 8.8 t80 -60.76 -33.45 72.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -73.03 -34.67 66.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.282 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -65.73 -32.79 74.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.046 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -65.16 -40.86 94.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.791 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.92 -52.09 66.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.756 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.74 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -59.43 -58.1 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.26 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.68 -55.42 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -65.74 -33.7 76.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -46.91 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.085 0.469 . . . . 0.0 109.775 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 4.1 t80 -69.91 -33.9 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.551 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.49 -29.71 69.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.718 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.94 -35.15 29.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.643 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.885 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -31.99 72.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' B' ' 104' ' ' TYR . 39.3 t -52.56 -36.05 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.461 . . . . 0.0 110.303 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.62 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -37.76 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.78 -50.05 46.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 13' ' ' VAL . 53.1 t80 -65.51 -40.11 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.37 -41.18 73.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -64.2 -48.51 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 mptt -59.24 -54.09 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.99 0.424 . . . . 0.0 110.299 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 9' ' ' PHE . 92.3 t -53.35 -37.0 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.577 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -70.34 -30.45 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.95 -32.81 71.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -90.38 -44.93 9.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.206 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.937 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.0 mp -85.23 -66.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 61.9 3.44 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.337 0.589 . . . . 0.0 111.968 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.937 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -103.36 -175.05 2.69 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.691 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -110.31 -49.29 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.64 83.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 17' ' ' ILE . 17.6 mt-10 -68.29 -46.26 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.522 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -63.14 -32.87 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.96 -51.97 65.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.017 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 29' ' ' VAL . 67.4 t80 -67.18 -45.03 78.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.879 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 13' ' ' VAL . 1.6 tt -57.44 -43.22 83.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.16 -33.75 72.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -72.33 -33.66 67.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.167 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' CB ' ' A' ' 45' ' ' ASP . 66.2 t -62.26 -46.77 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.381 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.43 -46.06 90.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.148 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -55.57 -32.3 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.385 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.751 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -71.16 -51.17 26.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.449 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.744 ' CG ' HD12 ' A' ' 42' ' ' LEU . 4.2 t80 -56.4 -24.39 44.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -82.0 -42.97 18.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.889 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -62.46 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.942 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 32' ' ' MET . 8.2 t -76.63 -35.43 58.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.009 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.2 mmt 60.96 53.28 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.735 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -121.87 112.44 18.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 t -57.65 -22.74 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.195 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.55 62.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.244 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 38' ' ' ASP . 93.9 t -74.59 -50.61 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -56.31 -46.44 79.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.693 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.5 t -65.58 -44.7 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' CB ' HG22 ' A' ' 29' ' ' VAL . 2.4 m-20 -61.66 -47.01 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -50.47 -42.57 54.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.7 mmtt -64.75 -50.48 66.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.332 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.02 -26.3 10.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.678 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.22 -27.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 46' ' ' LEU . 7.5 mt -103.41 23.01 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.355 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.83 -29.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.894 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 12.9 mt-10 -102.59 144.06 27.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.637 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 45.8 Cg_exo -56.32 -23.07 44.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.521 2.148 . . . . 0.0 112.677 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -36.89 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.397 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.11 18.92 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.877 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.4 mt -57.26 -46.23 99.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 79.4 Cg_exo -42.95 -26.87 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.791 2.327 . . . . 0.0 113.426 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 62' ' ' ILE . 5.7 mt -55.41 -36.58 66.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.277 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.438 ' HD1' ' HH ' ' A' ' 74' ' ' TYR . 79.2 m-85 -64.65 -51.01 64.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.143 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 t70 -75.11 -28.84 60.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.69 59.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.978 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 HD22 ' A' ' 58' ' ' LEU . 7.0 mt -74.97 -35.45 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -43.35 -53.34 11.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 98.2 Cg_exo -42.55 -54.09 3.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 113.573 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 105' ' ' LEU . 4.3 pp -74.49 -23.77 58.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.716 0.294 . . . . 0.0 111.067 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' LEU . 43.9 mt -68.45 133.22 91.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.83 139.8 13.74 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 122.821 2.347 . . . . 0.0 112.791 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.2 mt -50.1 -45.15 52.52 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 113.775 -1.557 . . . . 0.0 111.66 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -65.4 -50.7 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.145 0.498 . . . . 0.0 109.877 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 11.7 m170 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.35 -46.36 90.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.066 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.7 t -61.36 -55.04 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.102 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -34.09 69.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' OH ' HD13 ' A' ' 46' ' ' LEU . 49.1 t80 -60.97 -33.78 73.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.39 -35.66 65.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.327 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.9 -33.59 76.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 HG21 ' A' ' 43' ' ' VAL . 6.0 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.462 ' CD1' HG11 ' A' ' 5' ' ' VAL . 48.2 m-85 -47.29 -39.75 15.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.315 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.93 -52.21 66.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -58.12 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.45 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.25 -55.55 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -64.25 -37.7 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -40.62 66.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 109.837 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.487 ' HA ' HD12 ' B' ' 115' ' ' ILE . 8.0 t80 -72.4 -34.54 67.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.657 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.26 69.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -82.15 -33.79 29.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.699 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 112' ' ' TYR . 15.6 mt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.01 64.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' B' ' 104' ' ' TYR . 28.5 t -52.39 -35.18 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.39 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.9 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -67.75 -35.69 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.913 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.12 -50.13 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.836 ' O ' HG23 ' A' ' 13' ' ' VAL . 26.0 t80 -62.19 -37.01 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.228 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -74.19 -49.36 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.09 -34.36 77.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.2 mmtm -63.73 -54.99 26.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.372 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.4 t -53.38 -37.48 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.575 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -30.53 68.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -30.34 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.18 0.514 . . . . 0.0 110.386 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.799 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -87.1 -52.57 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.051 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 19' ' ' ASN . 10.5 mm -84.41 -62.94 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.601 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 26.7 tt0 67.58 3.9 3.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.395 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.0 t-20 -105.35 178.88 4.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.37 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -66.15 -44.24 84.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 179.647 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.194 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.1 76.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.841 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.0 t80 -67.15 -46.46 73.98 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD11 HD11 ' A' ' 58' ' ' LEU . 1.5 tt -57.24 -43.76 83.23 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.77 -33.66 71.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.337 178.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 42' ' ' LEU . 59.0 t -64.88 -49.58 79.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.643 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' HE2' ' A' ' 9' ' ' PHE . 32.2 mt -63.39 -39.84 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -36.02 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -74.92 -49.85 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.674 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CG ' HD12 ' A' ' 42' ' ' LEU . 29.4 t80 -59.09 -25.47 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CB ' HD13 ' B' ' 109' ' ' ILE . 16.5 t60 -84.8 -34.5 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.736 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -78.38 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.259 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 32' ' ' MET . 8.9 t -74.42 -27.9 60.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.655 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.4 mmt 63.16 51.39 2.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.731 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.855 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -123.32 112.37 17.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 43' ' ' VAL . 24.6 t -62.53 -25.16 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.12 -24.02 62.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.29 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.6 t -74.92 -54.73 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.595 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.796 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -55.21 -44.98 75.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.571 179.616 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.7 t -62.5 -46.18 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.71 -57.27 20.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -62.03 -40.99 97.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.809 HD22 HD11 ' A' ' 50' ' ' ILE . 9.9 mt -54.34 -37.94 65.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' ASN . 13.8 mmtp -70.19 -50.76 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.12 -27.6 14.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.058 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.16 -28.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 HD22 ' A' ' 46' ' ' LEU . 41.7 mt -105.12 25.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.184 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -46.77 -29.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.73 152.89 38.78 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 51.5 Cg_endo -68.84 -20.95 38.74 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.773 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -34.91 76.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.252 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' CB ' HG23 ' A' ' 50' ' ' ILE . 11.1 mtt85 -88.07 16.46 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.651 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 53' ' ' PRO . 11.9 mt -55.93 -44.92 99.92 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.2 Cg_exo -43.91 -24.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.715 2.277 . . . . 0.0 113.702 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -54.12 -53.06 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.376 -179.717 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -51.59 -49.15 62.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.1 t70 -74.97 -24.99 58.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.87 -51.61 46.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.686 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.689 HG22 HG13 ' A' ' 66' ' ' ILE . 10.1 mt -74.97 -34.61 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.206 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.574 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 2.0 ttt180 -42.83 -51.25 12.6 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.5 Cg_endo -53.85 -53.44 6.44 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.291 1.994 . . . . 0.0 113.126 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.913 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.87 -8.0 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.689 HG13 HG22 ' A' ' 62' ' ' ILE . 9.4 mt -81.98 134.59 49.47 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.533 0.206 . . . . 0.0 110.772 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -40.55 136.32 1.84 Allowed 'Trans proline' 0 CA--C 1.509 -0.741 0 C-N-CA 123.135 2.557 . . . . 0.0 112.96 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.28 -44.58 53.92 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.604 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 17.3 pttt -67.09 -46.76 73.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m170 -64.55 -28.22 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.527 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -59.7 -50.47 73.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.049 0.452 . . . . 0.0 109.845 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 72' ' ' VAL . 3.9 t -58.43 -52.6 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.742 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.86 -33.94 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.567 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -60.06 -33.92 72.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.18 -36.22 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.392 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -65.9 -32.74 74.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD13 HG12 ' A' ' 39' ' ' VAL . 5.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.738 0.304 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' TYR . . . . . 0.5 ' CD2' HG11 ' A' ' 5' ' ' VAL . 59.2 m-85 -60.97 -52.29 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.913 HD12 HD12 ' A' ' 65' ' ' LEU . 2.8 tp -56.64 -52.07 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -32.15 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.8 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -58.06 10.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.52 -42.7 67.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 105' ' ' LEU . 85.6 mt -57.01 -55.33 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.856 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -63.11 -35.61 80.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -40.06 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' TYR . . . . . 0.702 ' HA ' HD12 ' B' ' 115' ' ' ILE . 21.8 t80 -72.34 -34.13 67.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.87 -31.52 69.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.817 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -34.15 29.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.617 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' B' ' 112' ' ' TYR . 14.1 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -88.02 95.99 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.07 -46.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -60.57 -31.75 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.749 HG21 ' CE2' ' B' ' 104' ' ' TYR . 41.0 t -52.17 -33.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.076 0.465 . . . . 0.0 110.061 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.9 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.788 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 7.5 ttp180 -67.9 -42.16 81.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 23.3 mt-10 -70.42 -31.43 68.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.26 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 t80 -76.13 -43.43 43.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.329 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -75.42 -34.75 61.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -71.74 -35.59 70.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.822 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.94 -54.28 19.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 38.2 t -53.65 -37.64 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.18 -29.86 65.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.655 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.52 66.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.604 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -86.69 -51.61 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.237 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 19' ' ' ASN . 21.0 mm -77.09 -54.08 13.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.67 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 64.13 4.07 1.95 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.447 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.636 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.7 t30 -104.79 171.15 7.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.08 -49.62 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -40.97 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HB2' HG21 ' A' ' 17' ' ' ILE . 14.6 mt-10 -66.82 -46.96 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -32.08 73.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.181 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.27 -50.9 69.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.773 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 65.1 t80 -67.26 -46.46 73.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.641 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.814 HD21 HD21 ' A' ' 58' ' ' LEU . 40.5 tp -57.4 -40.99 79.43 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.8 m-85 -61.34 -32.42 72.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.52 -33.96 69.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.909 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 42' ' ' LEU . 47.0 t -61.97 -47.7 92.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.442 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.24 -43.79 98.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.256 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -33.73 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.378 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.899 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.08 -52.2 20.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.336 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CG ' HD12 ' A' ' 42' ' ' LEU . 32.4 t80 -56.16 -23.54 35.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB2' HD13 ' B' ' 109' ' ' ILE . 54.0 t-80 -77.49 -46.81 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.864 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' O ' ' A' ' 32' ' ' MET . 15.0 t -67.58 -32.2 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.993 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.3 mmt 59.04 49.35 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 0.0 110.719 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' CG ' HG23 ' A' ' 41' ' ' VAL . 44.3 t0 -124.35 101.36 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -57.35 -29.48 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.452 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -67.01 -25.12 66.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' CG ' ' A' ' 38' ' ' ASP . 92.3 t -78.91 -43.01 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -58.13 -46.13 86.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.746 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 47' ' ' LYS . 22.0 t -57.36 -44.56 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.36 -56.79 23.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 48' ' ' LEU . 9.3 m-20 -62.13 -49.15 77.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.855 0.359 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -50.75 -33.77 24.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.797 ' HD2' HG12 ' A' ' 43' ' ' VAL . 4.7 mtpt -70.88 -50.79 31.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.272 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -52.88 -26.05 13.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 t -101.06 -28.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 50' ' ' ILE . 46.0 mt -104.84 24.9 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.312 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.61 -28.25 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.1 146.45 32.32 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.752 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.8 Cg_exo -58.78 -26.17 79.05 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.564 2.176 . . . . 0.0 112.597 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.2 m -55.51 -38.04 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.09 18.86 3.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.761 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.3 mt -58.27 -46.9 99.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 93.6 Cg_exo -43.73 -26.94 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.851 2.367 . . . . 0.0 113.475 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -54.1 -33.89 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.319 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' HE2' HD23 ' A' ' 56' ' ' LEU . 15.9 m-85 -67.08 -50.6 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.0 -26.09 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -48.9 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.63 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 8.9 mt -75.01 -35.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.22 -53.11 11.5 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 89.3 Cg_exo -41.09 -53.68 2.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.851 2.367 . . . . 0.0 113.417 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.831 HD12 HD12 ' B' ' 105' ' ' LEU . 0.4 OUTLIER -74.25 -24.95 59.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 62' ' ' ILE . 44.6 mt -67.3 132.98 93.25 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.8 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -39.73 137.63 1.07 Allowed 'Trans proline' 0 CA--C 1.51 -0.7 0 C-N-CA 122.887 2.391 . . . . 0.0 113.231 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.06 -42.87 50.68 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.663 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -44.21 70.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.095 0.474 . . . . 0.0 110.155 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 9.1 m170 -67.11 -25.5 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.457 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.82 -50.86 71.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.042 0.449 . . . . 0.0 109.935 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.07 -52.93 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.937 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -58.06 -34.43 70.11 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.634 ' O ' HG23 ' A' ' 78' ' ' THR . 59.1 t80 -61.57 -33.64 74.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -73.11 -36.5 66.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.279 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.83 -32.28 73.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt -78.93 -37.76 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.024 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 74' ' ' TYR . 25.2 p -85.74 141.59 36.18 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.48 -31.15 7.4 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 p30 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -141.73 141.56 33.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.51 47.11 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -156.16 -45.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.749 ' CE2' HG21 ' A' ' 5' ' ' VAL . 66.9 m-85 -72.83 -31.28 64.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.86 -52.27 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.702 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -63.41 -32.18 73.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.5 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.25 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 34' ' ' HIS . 62.7 mt -56.8 -55.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.189 0.519 . . . . 0.0 109.858 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.899 ' HA ' HD12 ' B' ' 115' ' ' ILE . 41.1 t80 -71.7 -34.71 69.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.374 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.61 -29.77 68.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.764 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.06 -36.04 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.636 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 112' ' ' TYR . 13.9 mt -67.66 -36.35 75.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.79 36.78 27.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.426 ' CG ' HG22 ' B' ' 115' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 5' ' ' VAL . 8.7 ptp . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -98.48 45.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.15 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -67.86 -32.21 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.559 HG11 ' HD1' ' B' ' 104' ' ' TYR . 45.1 t -52.67 -39.78 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 0.0 110.095 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.9 67.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.81 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -39.64 87.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -49.51 40.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.874 ' O ' HG23 ' A' ' 13' ' ' VAL . 85.5 t80 -60.45 -43.27 97.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -71.5 -45.72 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.804 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.0 tmtp? -59.3 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.299 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.4 t -53.43 -37.41 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.725 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -72.89 -29.07 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -29.49 66.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.098 0.475 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -86.86 -52.19 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.359 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.6 mm -74.45 -56.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.629 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 64.81 4.23 2.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.369 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.4 t-20 -107.97 -172.23 2.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -48.02 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.99 85.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -46.92 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -64.61 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.745 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 29' ' ' VAL . 63.9 t80 -67.2 -47.23 71.54 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.681 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 58' ' ' LEU . 30.5 tp -57.29 -41.37 79.67 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' B' ' 112' ' ' TYR . 1.2 m-85 -61.18 -34.13 74.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.39 -33.42 67.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.376 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 25' ' ' TYR . 47.5 t -66.7 -49.29 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.77 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.17 -35.16 79.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.227 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.15 -45.56 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ptm -71.8 -28.93 63.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.566 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.606 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.2 t80 -67.59 -39.01 84.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.712 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' HB2' HD13 ' B' ' 109' ' ' ILE . 42.3 t-80 -66.21 -30.7 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.34 -62.07 1.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.512 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 4.3 t -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.78 32.21 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.652 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.601 ' OD2' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -100.69 101.56 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -64.85 -30.03 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.494 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -26.71 64.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.601 HG23 ' OD2' ' A' ' 38' ' ' ASP . 91.8 t -79.03 -47.96 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.2 pp -59.59 -38.38 81.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.6 t -63.75 -40.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.95 -53.2 48.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.755 . . . . 0.0 111.952 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.32 -45.42 91.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.231 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.821 ' CD2' HD12 ' A' ' 58' ' ' LEU . 10.3 mt -52.14 -36.27 50.94 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.422 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.5 mttm -68.0 -50.24 56.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.054 0.454 . . . . 0.0 110.395 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -54.84 -26.18 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 t -101.11 -28.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 50' ' ' ILE . 3.7 mp -110.2 27.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.458 0.647 . . . . 0.0 110.773 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 t-20 -48.96 -27.76 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 38.1 mt-10 -94.59 139.56 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 47.3 Cg_exo -56.14 -24.06 47.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.475 2.117 . . . . 0.0 112.482 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -56.93 -36.28 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' CB ' HG23 ' A' ' 50' ' ' ILE . 14.1 mtt-85 -87.96 12.03 14.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.637 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.7 mt -46.65 -49.37 46.77 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.3 Cg_exo -42.03 -28.18 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.781 2.32 . . . . 0.0 113.319 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.821 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.37 -35.4 73.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 111.28 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.69 -45.72 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 5.7 t0 -75.03 -26.36 59.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.57 -48.03 68.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 58' ' ' LEU . 12.9 mt -75.02 -34.67 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.991 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.9 ttm180 -42.97 -51.05 13.24 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -53.38 -53.32 6.83 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.272 1.981 . . . . 0.0 113.233 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.66 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.74 -7.37 51.84 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.375 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.677 HG13 HG22 ' A' ' 62' ' ' ILE . 20.1 mt -85.34 135.61 38.68 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.652 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 92.9 Cg_exo -41.6 137.06 2.79 Favored 'Trans proline' 0 CA--C 1.508 -0.788 0 C-N-CA 122.907 2.405 . . . . 0.0 112.97 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.11 -42.27 50.09 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 113.752 -1.567 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -71.83 -41.85 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.728 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.675 ' HB3' HG11 ' A' ' 39' ' ' VAL . 14.9 m170 -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.428 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.97 -50.43 73.41 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.045 0.45 . . . . 0.0 110.14 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.17 -54.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.87 -36.32 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.76 ' HA ' HD12 ' A' ' 77' ' ' LEU . 34.1 t80 -60.15 -33.67 72.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -35.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.138 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -65.82 -33.68 76.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 74' ' ' TYR . 2.3 mt -76.0 -41.69 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -62.88 111.15 4.32 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.54 165.42 30.55 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.09 21.71 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.125 0.488 . . . . 0.0 111.207 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.75 29.34 6.69 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.04 -39.18 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.559 ' HD1' HG11 ' A' ' 5' ' ' VAL . 55.6 m-85 -55.84 -49.77 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.05 -52.03 67.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -32.2 72.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -58.14 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.59 63.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.426 HD11 ' HG ' ' B' ' 105' ' ' LEU . 84.0 mt -58.05 -55.45 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.1 -33.56 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.421 ' O ' HG12 ' B' ' 115' ' ' ILE . 0.6 OUTLIER -55.06 -45.65 75.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.434 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -67.72 -36.16 80.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.61 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.63 -27.54 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -81.98 -37.68 26.28 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.683 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.421 HG12 ' O ' ' B' ' 111' ' ' GLU . 41.0 mm -57.53 -40.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 58.81 37.44 24.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.876 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.778 0.323 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -99.41 94.82 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -174.73 -40.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -71.39 -31.97 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.538 HG11 ' HD1' ' B' ' 104' ' ' TYR . 25.9 t -52.45 -34.65 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.37 66.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.639 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -36.66 81.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.02 -49.99 39.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 27.7 t80 -66.18 -34.68 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -43.77 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -68.47 -44.6 74.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -59.19 -58.0 10.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.339 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' PHE . 82.9 t -53.82 -37.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.497 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.39 -27.73 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.725 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.02 70.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -91.46 -51.04 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.943 -179.481 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.918 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.8 mp -70.2 -50.57 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.89 3.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.262 0.553 . . . . 0.0 112.424 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.918 ' H ' HG22 ' A' ' 17' ' ' ILE . 98.6 m-20 -113.48 141.5 47.04 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.705 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.29 -50.84 19.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.11 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.059 0.457 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB2' HG23 ' A' ' 17' ' ' ILE . 4.8 mm-40 -61.68 -46.81 88.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.7 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -62.88 -30.84 71.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.298 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.18 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 29' ' ' VAL . 55.7 t80 -67.2 -46.9 72.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.762 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 58' ' ' LEU . 6.8 tt -57.42 -42.01 81.51 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD2' ' CE2' ' B' ' 112' ' ' TYR . 1.1 m-85 -60.44 -34.34 73.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.24 -32.75 66.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.154 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 45' ' ' ASP . 90.5 t -62.18 -50.69 78.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD21 ' CZ ' ' A' ' 9' ' ' PHE . 1.3 mt -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.33 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -37.89 80.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.518 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.511 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -77.77 -34.19 52.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.351 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.598 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.1 t80 -60.56 -33.37 72.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.572 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -67.25 -34.66 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.23 -54.32 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 ' H ' ' A' ' 38' ' ' ASP . 12.2 t -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.85 40.53 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -128.57 111.07 12.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.9 t -57.67 -24.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.61 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.408 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 38' ' ' ASP . 97.6 t -78.8 -45.75 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.826 HD12 HD23 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -61.0 -41.24 96.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.192 179.669 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.9 t -64.76 -49.55 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.36 -43.11 57.58 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 29' ' ' VAL . 58.6 m-20 -65.96 -58.47 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.826 HD23 HD12 ' A' ' 42' ' ' LEU . 1.4 pp -58.49 -23.6 58.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.52 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -65.61 -50.96 63.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.4 -27.23 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.532 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG13 ' OE1' ' A' ' 22' ' ' GLU . 47.0 t -87.1 -25.65 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.128 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 50' ' ' ILE . 6.0 mt -115.25 26.13 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.261 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.4 t-20 -45.01 -25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.2 149.52 36.32 Favored Pre-proline 0 C--N 1.334 -0.105 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.589 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.712 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.7 Cg_endo -66.74 -20.62 52.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.644 2.229 . . . . 0.0 112.87 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -34.77 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.296 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 50' ' ' ILE . 67.9 mtt85 -87.98 11.67 15.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.794 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD23 ' CE2' ' A' ' 59' ' ' PHE . 7.3 mt -50.94 -46.25 87.71 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.766 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.7 Cg_exo -31.9 -32.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.535 2.823 . . . . 0.0 115.028 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -54.69 -33.39 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.251 -0.28 . . . . 0.0 111.703 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CE2' HD23 ' A' ' 56' ' ' LEU . 59.3 m-85 -64.51 -50.92 65.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.738 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 4.0 t70 -75.27 -28.97 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 0.0 110.599 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.671 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.17 -50.38 54.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.926 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.028 HD11 HD23 ' A' ' 58' ' ' LEU . 8.0 mt -76.01 -35.72 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -47.97 -36.41 10.33 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.071 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.671 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 17.4 Cg_exo -68.18 -52.89 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.374 2.05 . . . . 0.0 112.922 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 HD22 ' B' ' 105' ' ' LEU . 1.7 pp -62.72 -33.58 75.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.051 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -66.04 145.04 99.0 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 63.1 Cg_exo -37.75 137.53 0.4 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 122.915 2.41 . . . . 0.0 113.413 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.9 mt -50.04 -31.95 14.23 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.546 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 15.8 m170 -71.9 -37.69 70.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.748 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.6 pt20 -60.33 -39.2 86.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.921 0.391 . . . . 0.0 110.114 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 68' ' ' LEU . 2.9 t -63.04 -57.2 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.71 -32.45 65.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' OH ' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -59.35 -36.73 76.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.34 64.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.605 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -65.89 -33.48 75.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.803 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.5 -38.62 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 110.788 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.665 HG21 ' CD1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -97.87 135.93 21.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.804 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.28 145.31 53.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.425 2.083 . . . . 0.0 112.468 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.07 140.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.36 25.01 15.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.7 -40.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.538 ' HD1' HG11 ' A' ' 5' ' ' VAL . 50.7 m-85 -53.47 -51.79 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 109' ' ' ILE . 2.8 mm? -60.02 -52.2 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.935 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -32.31 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -61.98 -58.26 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.126 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -45.94 56.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.765 HD11 HD12 ' B' ' 105' ' ' LEU . 89.9 mt -56.48 -55.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.32 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.68 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' B' ' 115' ' ' ILE . 54.8 t80 -71.95 -33.82 68.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.611 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -31.66 70.25 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.13 -33.69 29.53 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.575 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' B' ' 112' ' ' TYR . 19.6 mt -75.49 -69.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.896 0.379 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 60.6 58.16 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -156.17 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -131.83 -42.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -32.22 54.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -52.58 -41.81 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.224 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HB2' ' OE1' ' B' ' 107' ' ' GLU . . . -72.8 -33.07 66.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.729 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -67.71 -39.38 84.37 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.3 -48.72 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.817 ' O ' HG23 ' A' ' 13' ' ' VAL . 73.8 t80 -64.79 -39.17 93.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -73.4 -43.2 61.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.852 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -41.83 85.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.611 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.69 -57.03 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 110.446 179.648 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.6 t -53.39 -37.34 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.632 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.73 -28.17 63.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.587 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.59 -31.59 69.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.439 . . . . 0.0 110.418 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -89.63 -51.54 5.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.059 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 19' ' ' ASN . 6.5 mt -85.55 -59.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.493 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 32.2 tt0 67.55 3.7 3.49 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.046 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.692 ' HB2' HG22 ' A' ' 17' ' ' ILE . 85.6 m-20 -106.75 161.3 14.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.73 -39.57 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.25 -54.04 50.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.013 0.435 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.602 ' HB3' HD13 ' A' ' 17' ' ' ILE . 4.6 mt-10 -61.24 -45.81 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -30.99 71.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.143 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -52.41 64.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.892 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.9 t80 -67.15 -44.54 79.53 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.585 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 58' ' ' LEU . 20.7 tp -57.59 -41.74 81.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.4 m-85 -61.26 -32.38 72.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -35.5 71.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.885 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 42' ' ' LEU . 47.2 t -61.59 -48.45 88.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.376 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.29 -37.58 86.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.889 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -55.72 -41.8 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.267 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 36' ' ' THR . 49.8 mmm -64.83 -49.98 68.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.186 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 37' ' ' MET . 12.3 t80 -56.36 -23.05 34.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.612 ' HB2' HD13 ' B' ' 109' ' ' ILE . 57.5 t-80 -81.76 -46.13 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.52 -62.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.979 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 32' ' ' MET . 6.4 t -77.82 -38.25 46.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.904 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.36 51.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.4 t70 -114.78 109.62 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.001 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.818 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.8 t -62.0 -21.64 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.298 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -74.68 -29.41 61.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 38' ' ' ASP . 95.9 t -77.05 -38.46 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.616 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 29' ' ' VAL . 1.2 mt -65.42 -45.17 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -66.19 -41.88 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.78 -55.69 29.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.643 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' CB ' HG22 ' A' ' 29' ' ' VAL . 5.8 m-20 -61.47 -44.47 97.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.698 HD21 HD11 ' A' ' 62' ' ' ILE . 11.8 mt -50.52 -42.7 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.3 mttm -66.33 -49.52 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.609 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.8 -26.37 9.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.28 -28.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.28 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 50' ' ' ILE . 11.9 mt -101.43 23.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.19 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.5 m120 -46.49 -29.62 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.968 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 7.0 mm-40 -101.83 144.94 29.59 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 44.2 Cg_exo -56.46 -24.39 52.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.508 2.139 . . . . 0.0 112.617 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.2 p -58.39 -38.25 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.641 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.9 mtt180 -88.02 14.16 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.644 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.6 mt -53.23 -52.5 65.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.98 -27.73 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.475 2.783 . . . . 0.0 113.68 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.72 -33.37 55.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 111.224 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 50' ' ' ILE . 18.1 m-85 -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.4 OUTLIER -75.13 -21.85 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.642 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.18 -51.45 45.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.523 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 58' ' ' LEU . 8.7 mt -76.18 -35.92 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' CG ' ' HD3' ' A' ' 64' ' ' PRO . 11.3 ptt180 -46.34 -37.2 7.53 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.642 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 47.6 Cg_exo -58.01 -52.88 5.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.072 1.848 . . . . 0.0 112.482 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.898 HD12 HD22 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -72.11 -19.33 61.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 179.531 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 62' ' ' ILE . 42.0 mt -73.23 134.17 80.51 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.03 135.16 8.15 Favored 'Trans proline' 0 CA--C 1.509 -0.729 0 C-N-CA 122.766 2.311 . . . . 0.0 112.868 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 mt -50.26 -26.78 5.09 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.66 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -87.2 -34.23 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 35.3 m170 -73.53 -32.62 64.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.686 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 3.0 pt20 -65.27 -37.24 86.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.6 t -64.15 -59.59 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -58.57 -36.11 73.44 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 43' ' ' VAL . 64.0 t80 -57.14 -33.48 67.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' PRO . 60.8 m-20 -72.89 -42.19 63.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.919 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.78 -16.22 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 74' ' ' TYR . 14.0 mt -92.21 -38.77 11.92 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.717 HG23 ' CG1' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -100.52 -74.84 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.259 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 30.2 Cg_endo -65.54 123.06 10.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.376 2.05 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.014 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.7 -159.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -90.13 19.95 4.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -63.27 -36.01 82.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.799 0.333 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.24 -36.07 76.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.898 HD22 HD12 ' A' ' 65' ' ' LEU . 3.8 mm? -60.11 -52.24 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -62.19 -32.18 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -59.06 -57.99 10.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.08 72.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 34' ' ' HIS . 60.9 mt -60.29 -55.47 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -65.72 -38.87 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.99 -40.06 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.736 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.9 -33.92 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.606 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.97 -32.37 69.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.781 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -82.03 -34.47 29.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.0 mt -69.44 -33.73 58.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.36 53.52 2.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.984 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.55 43.0 8.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -113.6 -37.58 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.88 -31.68 70.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG11 ' HD1' ' B' ' 104' ' ' TYR . 39.5 t -52.16 -33.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.268 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.04 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.648 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -35.99 79.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.48 -50.0 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.487 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.854 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.5 t80 -59.48 -42.14 91.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -48.26 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.807 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -43.29 92.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.56 -53.93 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.467 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 9' ' ' PHE . 45.3 t -53.38 -37.52 29.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -69.67 -29.04 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -32.65 71.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.07 0.462 . . . . 0.0 110.551 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 57' ' ' PRO . 3.8 mt -82.92 -51.29 7.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.195 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.546 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.5 mm -75.63 -55.81 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.5 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 64.38 4.22 2.12 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.445 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.5 t30 -105.82 174.39 5.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.25 -52.49 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.04 74.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mm-40 -65.24 -46.84 78.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.688 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -61.54 -32.67 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.318 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -62.28 -51.58 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.5 t80 -67.18 -43.14 82.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.038 HD11 HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.46 -46.61 83.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE2' ' CD1' ' B' ' 112' ' ' TYR . 0.3 OUTLIER -60.01 -31.35 69.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.248 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -72.46 -33.24 66.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 45' ' ' ASP . 55.7 t -66.26 -49.36 76.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.568 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.36 -37.05 85.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -45.85 87.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.315 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -64.54 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.168 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -63.05 -34.66 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' B' ' 109' ' ' ILE . 39.4 t-80 -75.02 -30.39 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.22 -62.21 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.47 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 4.7 t -72.64 -26.39 61.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.522 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.74 33.36 12.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 0.0 110.658 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 36' ' ' THR . 17.8 t0 -113.62 113.26 24.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.859 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.7 t -65.89 -22.85 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.59 -27.01 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.972 0.415 . . . . 0.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.4 t -78.38 -43.44 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -63.52 -39.64 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.5 t -67.21 -40.9 86.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.3 -52.45 49.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.141 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HG22 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -65.53 -47.25 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.508 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 50' ' ' ILE . 9.6 mt -50.56 -44.39 56.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HD3' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -62.76 -50.44 71.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.592 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.87 -26.69 10.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.456 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.28 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.163 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.823 HD11 HD22 ' A' ' 46' ' ' LEU . 7.1 mt -101.9 22.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.95 -30.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.57 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 56' ' ' LEU . 25.3 Cg_exo -62.82 -24.96 74.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.654 2.236 . . . . 0.0 112.625 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -38.41 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.606 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.559 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.95 15.13 7.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.947 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.8 mt -56.99 -45.86 99.92 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 16' ' ' LEU . 91.8 Cg_exo -43.8 -26.92 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.818 2.346 . . . . 0.0 113.515 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 26' ' ' LEU . 3.2 mt -56.85 -41.3 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 111.263 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -61.3 -50.87 71.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -75.19 -26.66 59.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.92 -50.04 58.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.629 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 58' ' ' LEU . 16.8 mt -75.12 -35.44 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 66' ' ' ILE . 5.4 ttt85 -42.93 -51.02 13.15 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 91.4 Cg_exo -41.18 -54.19 2.69 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.554 2.169 . . . . 0.0 113.622 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 ' HG ' ' B' ' 105' ' ' LEU . 0.3 OUTLIER -74.58 -30.48 61.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 63' ' ' ARG . 94.7 mt -56.59 135.04 77.62 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 84.6 Cg_exo -45.09 140.63 7.25 Favored 'Trans proline' 0 CA--C 1.508 -0.791 0 C-N-CA 122.82 2.347 . . . . 0.0 113.026 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.13 -46.3 53.74 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.622 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.83 70.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.214 0.531 . . . . 0.0 109.876 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 23.1 m170 -68.32 -29.29 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.143 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.26 -53.48 57.76 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.053 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.48 -53.25 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.061 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -57.33 -33.98 68.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.694 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.7 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.7 t80 -60.57 -33.64 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.92 -41.69 64.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.333 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.44 -22.32 66.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.677 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.0 -23.96 16.03 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.433 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -50.46 -54.3 36.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 111.347 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 78' ' ' THR . 50.4 Cg_exo -52.16 150.66 18.7 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.914 2.41 . . . . 0.0 112.272 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -115.69 140.02 49.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 60.95 32.52 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.35 -41.81 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HD1' HG11 ' A' ' 5' ' ' VAL . 97.2 m-85 -72.69 -33.82 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.83 ' HG ' HD12 ' A' ' 65' ' ' LEU . 3.5 mt -59.44 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -58.92 -35.19 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.61 -58.04 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 34' ' ' HIS . 57.5 mt -57.08 -55.43 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -35.6 79.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.552 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -42.65 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.154 0.502 . . . . 0.0 109.782 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.838 ' HA ' HD12 ' B' ' 115' ' ' ILE . 70.1 t80 -70.6 -33.99 71.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.592 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.93 -30.33 68.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.735 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.06 -35.42 28.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.684 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.8 mt -66.32 -45.38 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.0 63.88 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.808 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.78 31.77 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -77.39 -31.26 54.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -63.24 -32.0 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' B' ' 104' ' ' TYR . 28.6 t -52.24 -35.61 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.25 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.668 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -67.7 -38.49 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.47 -50.06 42.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.884 ' O ' HG23 ' A' ' 13' ' ' VAL . 80.0 t80 -63.47 -41.21 98.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.147 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -44.22 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.73 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 7.7 m170 -59.74 -45.41 92.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.751 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.22 -47.06 86.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.936 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 9' ' ' PHE . 59.1 t -53.73 -49.87 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.172 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.2 p30 -72.98 -17.42 61.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.76 -37.89 76.56 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.29 0.566 . . . . 0.0 109.957 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -93.53 -46.89 7.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.004 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.946 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.5 mp -68.57 -52.6 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 56.05 3.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.248 0.547 . . . . 0.0 112.03 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.946 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.9 t30 -110.67 -165.74 1.02 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.28 -47.25 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.74 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -64.6 -46.93 80.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.844 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HG3' HG12 ' A' ' 13' ' ' VAL . 3.3 mtmt -62.47 -33.53 75.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.256 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -47.91 82.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 109.957 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.3 t80 -67.1 -49.04 66.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.839 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.4 -41.58 80.56 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' B' ' 112' ' ' TYR . 3.6 m-85 -61.02 -34.28 74.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -32.77 66.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' TYR . 75.0 t -62.91 -54.31 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.589 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 44.8 mt -60.42 -39.29 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.179 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -60.34 -41.72 94.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.306 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.886 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ttp -72.64 -38.86 67.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.307 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CD2' HD22 ' A' ' 42' ' ' LEU . 8.2 t80 -62.33 -25.18 67.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.733 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -80.41 -35.84 34.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.487 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' O ' ' A' ' 32' ' ' MET . 8.8 t -70.92 -30.41 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.458 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.7 38.83 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.716 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.8 m-20 -109.08 110.77 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 t -73.27 -25.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 77' ' ' LEU . . . -72.99 -25.87 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.98 -46.1 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.5 pp -61.95 -40.16 94.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.549 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.9 t -62.26 -43.98 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -51.73 56.41 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.131 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 48' ' ' LEU . 44.2 m-20 -61.74 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.939 HD11 HD13 ' A' ' 62' ' ' ILE . 10.5 mt -51.03 -42.52 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.9 mtpp -66.53 -49.17 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 45' ' ' ASP . 20.7 mt -51.84 -26.69 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.3 t -99.07 -27.57 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.372 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 50' ' ' ILE . 14.8 mt -102.83 23.42 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.0 m120 -47.45 -28.96 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -97.3 154.16 38.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.5 Cg_endo -67.35 -20.1 49.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.615 2.21 . . . . 0.0 112.87 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.312 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.94 10.54 18.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.729 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 53' ' ' PRO . 5.4 mt -52.04 -46.7 93.0 Favored Pre-proline 0 CA--C 1.533 0.317 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -43.58 -25.36 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.775 2.317 . . . . 0.0 113.732 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 62' ' ' ILE . 2.3 mt -56.08 -50.04 72.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 111.326 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.632 ' CE2' HG21 ' A' ' 50' ' ' ILE . 35.3 m-85 -54.8 -50.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -74.02 -28.57 61.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.529 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.6 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.376 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 46' ' ' LEU . 3.7 mt -74.89 -35.5 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.374 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.33 -53.06 11.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 88.1 Cg_exo -41.14 -53.75 2.87 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.674 2.25 . . . . 0.0 113.366 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.27 -24.71 59.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 62' ' ' ILE . 85.0 mt -67.99 128.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.4 140.54 8.32 Favored 'Trans proline' 0 CA--C 1.508 -0.804 0 C-N-CA 122.863 2.375 . . . . 0.0 113.105 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.16 -43.34 52.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.28 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -71.11 -41.66 70.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.298 0.57 . . . . 0.0 109.684 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.0 m170 -64.38 -29.01 70.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.239 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -61.65 -45.12 95.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.991 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -61.35 -54.68 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.845 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.78 -34.27 71.26 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.617 ' HE2' HD11 ' A' ' 42' ' ' LEU . 5.3 t80 -59.44 -33.63 71.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -42.48 62.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -66.31 -27.28 67.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.452 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 40' ' ' ALA . 5.9 mt -87.45 -28.11 22.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.892 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.422 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -47.33 -55.79 14.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 -179.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 78' ' ' THR . 73.0 Cg_endo -79.24 -175.95 3.01 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.975 2.45 . . . . 0.0 112.408 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.86 142.74 50.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 60.92 43.22 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -62.95 -47.9 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.494 ' CD1' HG11 ' A' ' 5' ' ' VAL . 17.9 m-85 -60.0 -36.54 77.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.82 HD23 HD11 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -57.15 -52.16 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.671 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -60.18 -32.03 70.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.64 -58.09 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.39 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 110.903 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.82 HD11 HD23 ' B' ' 105' ' ' LEU . 82.8 mt -56.45 -54.58 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -34.34 77.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.47 -45.44 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 109.76 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 115' ' ' ILE . 44.1 t80 -69.28 -33.86 73.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.642 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.92 -30.31 68.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.805 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -34.89 29.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.874 HD12 ' HA ' ' B' ' 112' ' ' TYR . 33.3 mt -64.31 -33.85 65.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.6 48.02 1.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 mtt . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.11 31.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 -30.92 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -71.0 -31.92 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.605 HG21 ' HE1' ' B' ' 104' ' ' TYR . 45.7 t -52.45 -35.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.974 0.416 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.72 -39.18 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.595 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -67.71 -39.18 84.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.3 -49.04 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.343 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.904 ' O ' HG23 ' A' ' 13' ' ' VAL . 78.7 t80 -62.22 -39.71 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -49.83 47.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.672 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.6 t-80 -59.79 -40.87 89.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.41 -46.53 88.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.117 179.368 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -53.49 -51.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.1 p30 -73.21 -16.68 61.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -36.77 76.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.263 0.554 . . . . 0.0 110.095 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -93.42 -51.13 5.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.888 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.995 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.1 mp -65.85 -52.95 43.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.46 3.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 111.806 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.995 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t30 -107.18 -165.18 1.04 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -124.06 -51.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.32 74.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HB2' HG23 ' A' ' 17' ' ' ILE . 42.0 mt-10 -69.18 -46.79 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.18 -33.51 75.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -62.42 -47.9 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.727 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 t80 -67.16 -47.92 69.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.889 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 58' ' ' LEU . 2.2 tt -57.29 -42.5 81.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 0.8 OUTLIER -60.79 -34.36 74.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.308 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.64 -32.28 65.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.423 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.4 t -64.29 -54.31 32.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -69.82 -38.58 76.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.678 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.876 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -76.25 -37.46 57.6 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.604 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.1 t80 -63.99 -32.4 73.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' B' ' 109' ' ' ILE . 25.8 t60 -64.03 -39.76 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -62.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 32' ' ' MET . 9.9 t -65.79 -28.56 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.553 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 17.0 mmt 61.51 32.28 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 2.2 t70 -102.38 111.67 24.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.4 t -73.98 -24.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.216 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.85 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.97 -48.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 33' ' ' TYR . 2.3 pp -61.58 -38.25 86.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 39' ' ' VAL . 99.0 t -61.55 -41.41 90.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.438 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.62 55.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.205 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 48' ' ' LEU . 47.8 m-20 -60.67 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.853 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.855 ' O ' HD12 ' A' ' 50' ' ' ILE . 10.1 mt -50.45 -42.73 54.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.585 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.91 -50.48 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 0.0 110.57 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.9 mt -52.55 -26.74 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.33 -27.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 46' ' ' LEU . 2.7 mp -109.99 27.44 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.447 0.642 . . . . 0.0 111.004 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -50.33 -26.24 4.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -95.63 155.98 37.96 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.621 ' O ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_endo -69.71 -21.86 33.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.679 2.253 . . . . 0.0 112.764 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -60.57 -36.64 78.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -87.99 10.48 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.624 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 53' ' ' PRO . 4.0 mt -44.68 -56.76 7.89 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.793 ' HG2' HD22 ' A' ' 16' ' ' LEU . 5.7 Cg_exo -38.26 -30.45 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.388 2.725 . . . . 0.0 113.348 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.777 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -56.63 -33.3 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.642 0.258 . . . . 0.0 111.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.69 -50.68 28.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 11.2 t0 -73.58 -22.1 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.06 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.525 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 58' ' ' LEU . 27.0 mt -75.15 -35.31 34.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 4.7 mtp180 -42.89 -51.91 11.99 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 85.4 Cg_exo -41.07 -53.75 2.83 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.806 2.337 . . . . 0.0 113.594 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -74.49 -26.22 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 62' ' ' ILE . 51.2 mt -64.92 134.37 96.04 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.786 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 82.3 Cg_exo -44.34 138.34 7.34 Favored 'Trans proline' 0 CA--C 1.509 -0.738 0 C-N-CA 122.736 2.291 . . . . 0.0 113.118 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.26 -37.93 38.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.343 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -73.11 -45.06 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 0.0 109.718 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.3 m170 -64.6 -24.83 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.18 -50.18 72.83 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.002 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.75 -53.96 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.103 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.64 -35.89 71.12 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.738 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.589 ' CD2' HG22 ' A' ' 43' ' ' VAL . 62.8 t80 -60.32 -33.74 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.24 -34.86 66.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.266 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -65.77 -34.61 78.58 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.7 mt -76.37 -39.96 52.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.0 p -67.64 141.91 95.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 161.12 40.08 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.509 2.14 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.72 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.531 ' HB2' HD12 ' B' ' 105' ' ' LEU . 22.0 p-10 -96.14 32.59 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -67.56 -37.81 83.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.605 ' HE1' HG21 ' A' ' 5' ' ' VAL . 9.0 m-85 -68.25 -31.35 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' B' ' 102' ' ' ASP . 10.3 mt -57.85 -52.2 66.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' B' ' 110' ' ' GLN . 2.0 ptt180 -62.34 -32.25 73.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' B' ' 106' ' ' ARG . 13.2 mt-10 -57.95 -58.14 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.57 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 34' ' ' HIS . 71.2 mt -57.17 -55.36 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 106' ' ' ARG . 0.7 OUTLIER -63.38 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.591 ' OE2' HD11 ' B' ' 115' ' ' ILE . 0.0 OUTLIER -52.19 -43.95 64.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.059 0.457 . . . . 0.0 109.909 179.328 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.83 ' HA ' HD12 ' B' ' 115' ' ' ILE . 57.5 t80 -70.2 -34.0 72.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.656 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -59.98 -31.23 69.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.819 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -81.99 -33.64 30.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.749 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' B' ' 112' ' ' TYR . 10.6 mt -72.05 -54.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.48 64.79 0.82 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 34.6 mttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.939 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -149.27 69.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -30.31 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.55 -31.87 67.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -52.18 -33.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.1 64.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.714 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -41.42 82.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.307 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -42.26 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.737 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 13' ' ' VAL . 50.0 t80 -64.58 -44.07 91.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.178 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -72.42 -45.99 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.805 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -63.88 -39.55 94.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.46 -54.73 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.36 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.3 t -53.35 -38.73 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.65 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.2 -26.18 61.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.59 -32.42 71.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.039 0.447 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -88.32 -50.9 6.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.057 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.913 HG22 ' H ' ' A' ' 19' ' ' ASN . 5.1 mp -86.46 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 66.3 3.66 2.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.649 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.913 ' H ' HG22 ' A' ' 17' ' ' ILE . 10.6 t30 -94.84 168.2 10.95 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.838 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.17 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -39.63 63.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.3 mm-40 -68.94 -46.96 66.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 ttmt -65.19 -33.12 75.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.17 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -46.69 87.38 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 63.6 t80 -67.41 -48.85 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.772 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.718 HD21 HD21 ' A' ' 58' ' ' LEU . 30.3 tp -57.2 -42.36 81.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.0 OUTLIER -61.14 -33.03 72.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.14 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -72.4 -33.17 66.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 42' ' ' LEU . 95.4 t -63.06 -54.31 35.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.707 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.61 -40.45 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.374 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.69 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.436 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.829 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -76.68 -32.64 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.7 t80 -66.98 -26.4 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HB2' HD13 ' B' ' 109' ' ' ILE . 44.2 t-80 -80.69 -31.12 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -62.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.485 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 32' ' ' MET . 4.4 t -76.05 -22.5 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 7.2 mmt 62.27 38.54 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.674 ' HB3' HG23 ' A' ' 41' ' ' VAL . 4.2 m-20 -105.29 112.23 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.1 t -76.89 -24.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -27.25 60.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.3 t -78.87 -42.17 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.962 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.1 pp -65.56 -39.25 91.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.7 t -64.49 -43.29 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.491 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.6 -52.61 50.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.07 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 3.2 m-20 -60.81 -44.61 96.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.413 . . . . 0.0 110.491 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.57 -39.63 50.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 78' ' ' THR . 1.5 mptm? -68.47 -49.67 58.13 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.91 -26.73 10.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.16 -27.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 46' ' ' LEU . 23.3 mt -104.1 25.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 4.2 m-20 -49.51 -27.34 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.872 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.99 144.8 29.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.784 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.4 Cg_exo -57.35 -25.1 63.79 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 112.643 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t -56.67 -38.49 72.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.381 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.01 14.22 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.766 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.4 mt -51.34 -54.83 34.42 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.755 ' HG2' HD22 ' A' ' 16' ' ' LEU . 6.3 Cg_exo -35.45 -31.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.583 2.855 . . . . 0.0 113.766 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.066 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -54.0 -43.03 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 111.363 -179.742 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 50' ' ' ILE . 16.5 m-85 -60.62 -50.71 72.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.317 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -74.88 -26.63 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.852 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.64 -48.34 66.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.484 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.066 HD11 HD22 ' A' ' 58' ' ' LEU . 9.8 mt -74.89 -35.01 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.123 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.563 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.6 ttm180 -43.05 -52.48 11.78 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.0 Cg_endo -51.98 -53.11 7.54 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.322 2.015 . . . . 0.0 113.073 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.56 -8.72 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.294 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 62' ' ' ILE . 10.9 mt -84.45 133.57 44.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.751 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 1.7 Cg_endo -45.08 138.42 9.17 Favored 'Trans proline' 0 CA--C 1.508 -0.775 0 C-N-CA 122.948 2.432 . . . . 0.0 112.62 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.3 mt -49.92 -45.72 51.28 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.733 -1.576 . . . . 0.0 111.55 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -56.32 20.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.11 0.481 . . . . 0.0 110.143 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.6 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 m170 -62.32 -23.19 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.606 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.06 -49.58 73.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.067 0.46 . . . . 0.0 109.914 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.45 -53.86 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.978 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.33 -35.48 71.95 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 43' ' ' VAL . 19.3 t80 -60.54 -33.66 72.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -33.22 65.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.364 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.69 -34.39 78.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.47 -33.07 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.619 HG22 ' HE3' ' A' ' 47' ' ' LYS . 62.6 p -98.61 98.72 6.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.18 140.38 53.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.425 2.084 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.49 164.35 12.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.66 58.98 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -138.77 -49.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -72.88 -53.58 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.773 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.81 HD12 HD11 ' B' ' 109' ' ' ILE . 2.9 mm? -57.11 -51.98 67.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.53 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.55 -58.08 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.56 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.81 HD11 HD12 ' B' ' 105' ' ' LEU . 82.0 mt -58.73 -55.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.741 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.5 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.39 -34.37 67.85 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.662 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.53 -32.04 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.1 0.476 . . . . 0.0 109.792 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -82.06 -34.2 29.55 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.863 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.633 HG22 ' HG3' ' B' ' 117' ' ' LYS . 6.1 mt -83.05 -68.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.87 33.12 19.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.806 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.633 ' HG3' HG22 ' B' ' 115' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.787 0.327 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.19 75.32 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 -46.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.054 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.441 ' CG1' ' CD2' ' B' ' 104' ' ' TYR . 39.2 t -52.66 -38.34 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.423 . . . . 0.0 110.135 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.8 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.833 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -38.8 84.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -71.95 -49.5 36.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 13' ' ' VAL . 43.2 t80 -61.98 -39.52 92.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.385 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -73.35 -46.5 48.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -62.04 -42.96 99.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.724 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.77 -56.69 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.29 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 9' ' ' PHE . 49.2 t -53.44 -37.21 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.7 -28.22 62.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -69.6 -32.84 71.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.837 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.5 mt -89.63 -43.25 10.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.935 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.015 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.3 mp -92.69 -64.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.0 1.77 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.606 0.717 . . . . 0.0 111.067 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 1.015 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -90.15 -167.79 1.94 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.771 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.17 -55.58 1.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.13 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 111.235 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.49 -44.49 86.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -34.37 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.21 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.54 -50.61 71.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.009 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.7 t80 -67.27 -46.5 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.872 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.6 tt -57.4 -41.9 81.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.03 -33.87 73.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.43 -33.33 67.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.224 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.5 t -64.18 -54.47 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.778 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.44 -39.33 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.07 0.462 . . . . 0.0 110.249 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -40.06 76.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.596 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 mtp -73.22 -43.89 60.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.612 ' CE1' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.72 -18.26 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.984 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.637 ' HB2' HD13 ' B' ' 109' ' ' ILE . 58.5 t-80 -85.25 -40.46 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' MET . 1.5 t -76.85 -28.41 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.736 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 69.37 41.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.001 0.429 . . . . 0.0 110.756 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 41' ' ' VAL . 27.2 p30 -102.19 112.58 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.4 t -81.72 -23.36 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.69 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' OD2' ' A' ' 38' ' ' ASP . 77.2 t -79.05 -42.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.2 pp -63.5 -40.66 97.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.588 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 39' ' ' VAL . 86.8 t -60.75 -43.42 95.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.915 0.388 . . . . 0.0 110.352 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.55 -47.08 92.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.096 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 50.4 m-20 -61.89 -49.7 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.529 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 62' ' ' ILE . 9.6 mt -50.46 -38.06 41.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' ASN . 3.7 mttp -67.51 -49.7 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.229 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.22 -26.88 12.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.532 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.25 -27.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.751 HD11 HD22 ' A' ' 46' ' ' LEU . 16.2 mt -104.99 25.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.374 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -47.5 -29.0 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.907 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -98.9 153.18 37.95 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.2 Cg_endo -66.34 -20.11 55.38 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.859 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -37.89 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.89 12.31 13.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.676 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.9 mt -51.45 -53.73 46.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -38.52 -28.22 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.449 2.766 . . . . 0.0 113.737 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.797 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.82 -53.16 56.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.605 0.24 . . . . 0.0 111.068 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 50' ' ' ILE . 37.6 m-85 -50.93 -42.48 59.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.474 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -71.56 -29.31 64.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.138 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.17 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.384 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.821 HG13 HD11 ' A' ' 46' ' ' LEU . 1.1 mm -75.23 -35.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.056 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.2 OUTLIER -43.71 -54.11 11.17 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 82.4 Cg_exo -44.46 -54.08 4.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.742 2.295 . . . . 0.0 113.668 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -74.53 -26.38 59.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.149 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.72 133.03 94.07 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.36 139.9 35.69 Favored 'Trans proline' 0 CA--C 1.506 -0.899 0 C-N-CA 122.778 2.319 . . . . 0.0 112.74 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.1 mt -50.22 -37.85 37.41 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.255 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -73.18 -45.03 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.293 0.568 . . . . 0.0 109.695 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.142 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.12 -43.1 99.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.919 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.2 t -63.0 -58.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.038 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.4 -35.04 69.52 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' HG22 ' A' ' 43' ' ' VAL . 58.2 t80 -59.72 -33.56 71.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -33.03 65.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.145 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -65.39 -34.25 77.87 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.01 -35.98 36.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 51.5 p -82.8 156.32 67.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 20.4 Cg_endo -60.71 150.05 84.45 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.263 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.56 146.53 30.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.34 48.97 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -151.66 -45.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.441 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 2.5 m-85 -56.46 -38.02 71.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.068 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.857 HD12 HD11 ' B' ' 109' ' ' ILE . 3.0 mm? -59.85 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -64.16 -32.09 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.986 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -58.43 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.857 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.75 61.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.857 HD11 HD12 ' B' ' 105' ' ' LEU . 71.3 mt -56.41 -51.37 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -64.25 -37.13 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.478 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.55 -41.46 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.36 -34.43 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.736 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -59.98 -31.0 69.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.734 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 112' ' ' TYR . 51.6 mt -69.81 -32.13 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.23 53.31 2.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mtp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.827 0.346 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.47 50.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -169.07 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -57.0 -31.95 65.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.573 HG11 ' HD1' ' B' ' 104' ' ' TYR . 38.3 t -52.41 -38.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.422 . . . . 0.0 110.192 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.56 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.644 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -36.06 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.96 -50.17 37.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.863 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.5 t80 -65.6 -36.26 83.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.175 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -72.56 -44.37 62.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.861 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -44.42 96.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmmm -59.21 -53.72 55.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 9' ' ' PHE . 52.5 t -53.16 -37.29 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.83 -28.77 64.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.59 -32.67 71.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.099 0.476 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -89.44 -50.09 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.052 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB2' ' A' ' 19' ' ' ASN . 10.6 mm -85.37 -61.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.526 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 67.43 3.8 3.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.422 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.809 ' HB2' HG22 ' A' ' 17' ' ' ILE . 2.5 m-20 -102.08 166.83 10.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.983 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -100.72 -47.49 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.07 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -62.06 -45.9 91.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.658 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -61.46 -52.42 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.034 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.26 -44.74 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.735 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 HG11 ' A' ' 13' ' ' VAL . 18.0 tp -57.36 -42.95 83.04 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.7 m-85 -61.17 -32.22 71.95 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.36 -33.08 67.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.221 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' TYR . 55.9 t -64.96 -54.35 30.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.732 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.91 -37.45 82.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.329 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -64.75 -44.2 90.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.893 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -68.15 -37.31 80.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.542 ' OH ' HG22 ' A' ' 39' ' ' VAL . 9.3 t80 -61.08 -37.47 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.616 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HB2' HD13 ' B' ' 109' ' ' ILE . 20.9 t-80 -71.05 -31.31 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -62.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.341 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 32' ' ' MET . 4.6 t -71.89 -26.56 62.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.543 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.18 37.17 9.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.765 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -112.7 111.13 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.995 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 t -68.01 -24.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -24.32 59.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.687 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' HB3' ' A' ' 38' ' ' ASP . 61.5 t -78.95 -43.03 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 42' ' ' LEU . 1.4 pp -66.45 -39.46 88.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 39' ' ' VAL . 55.4 t -65.87 -41.73 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.01 -51.97 56.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.072 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.62 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.529 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 50' ' ' ILE . 9.3 mt -51.32 -41.76 60.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' ASN . 18.0 mttt -66.14 -50.32 64.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.8 -26.77 10.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.45 -27.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.255 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.746 HD11 HD22 ' A' ' 46' ' ' LEU . 18.8 mt -101.94 22.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.236 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' LYS . 23.8 p30 -46.12 -29.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.104 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.22 142.64 24.97 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 46.8 Cg_exo -56.23 -26.16 59.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.563 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -59.92 -33.12 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.315 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.6 ' C ' HG23 ' A' ' 50' ' ' ILE . 4.2 mtt85 -87.89 12.03 14.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.676 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 10.5 mt -53.06 -54.68 41.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.99 -27.77 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.42 2.747 . . . . 0.0 113.745 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.75 -33.53 56.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.625 0.25 . . . . 0.0 111.444 -179.659 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 50' ' ' ILE . 20.3 m-85 -68.69 -50.86 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 1.3 t70 -73.34 -23.55 60.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.512 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.78 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.529 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 58' ' ' LEU . 13.1 mt -75.3 -35.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -43.12 -52.59 11.87 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 91.0 Cg_exo -41.16 -53.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.797 2.331 . . . . 0.0 113.44 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -74.18 -25.73 59.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 HG22 ' A' ' 62' ' ' ILE . 60.0 mt -65.91 128.28 93.71 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.752 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.1 Cg_endo -47.98 161.55 0.35 Allowed 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.693 2.262 . . . . 0.0 112.741 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -28.09 66.48 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 113.781 -1.554 . . . . 0.0 111.968 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -78.98 -47.83 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.076 0.465 . . . . 0.0 110.052 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 54.2 m170 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.22 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -61.23 -49.47 77.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 110.129 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.84 -53.32 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -33.85 70.11 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 43' ' ' VAL . 89.5 t80 -62.34 -34.25 76.29 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.15 -35.99 66.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.03 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.85 -31.79 72.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.791 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.7 -41.3 45.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.52 155.67 7.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -58.02 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.78 0.324 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -158.95 164.51 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 59.78 53.12 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.51 -44.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.573 ' HD1' HG11 ' A' ' 5' ' ' VAL . 24.3 m-85 -53.76 -52.56 59.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.119 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -58.56 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.787 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -59.89 -34.02 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.12 -58.19 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.22 73.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.603 HD11 HD23 ' B' ' 105' ' ' LEU . 68.5 mt -56.56 -55.44 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.34 -35.15 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.0 -43.03 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.073 0.463 . . . . 0.0 109.808 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.855 ' HA ' HD12 ' B' ' 115' ' ' ILE . 4.7 t80 -70.12 -35.56 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.63 -29.05 67.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.72 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -81.9 -36.35 28.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.798 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' B' ' 112' ' ' TYR . 46.7 mt -60.33 -38.12 76.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.36 81.22 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.825 0.345 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.24 31.75 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -95.48 -32.16 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.11 70.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.51 -35.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.253 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.75 -36.3 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.823 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -36.31 80.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.97 -49.15 39.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.284 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 51.0 t80 -63.17 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.086 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -73.17 -50.01 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 6.6 t-160 -60.89 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.3 mmtp -59.27 -57.96 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 55.9 t -53.62 -37.56 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -72.95 -28.79 62.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' NE2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -69.7 -30.61 68.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 110.618 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -93.25 -49.23 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.302 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.014 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.2 mp -73.79 -51.56 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 55.96 3.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 0.0 111.95 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 1.014 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.8 m120 -110.45 159.33 17.59 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.818 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.2 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.12 88.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.3 -46.82 78.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.694 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -62.3 -31.95 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.236 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -51.05 69.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.887 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 29' ' ' VAL . 72.1 t80 -67.19 -45.71 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.577 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 HG11 ' A' ' 13' ' ' VAL . 43.9 tp -57.48 -41.69 81.18 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' CD2' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.33 -33.54 73.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.22 -33.17 67.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 ' CG1' HD23 ' A' ' 42' ' ' LEU . 99.8 t -62.11 -51.81 67.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.484 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.35 -40.56 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.532 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.97 -37.55 88.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.99 -47.09 54.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.787 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.857 ' CG ' HD12 ' A' ' 42' ' ' LEU . 14.0 t80 -56.15 -42.13 76.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -69.46 -30.18 68.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.983 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -77.99 -57.81 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.985 0.422 . . . . 0.0 111.372 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 32' ' ' MET . 2.7 t -77.59 -22.83 50.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.445 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 12.5 mmt 61.02 47.95 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.708 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.6 t0 -124.66 113.74 18.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.849 ' O ' HG23 ' A' ' 43' ' ' VAL . 40.8 t -65.51 -23.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.963 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.58 -23.99 62.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.197 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ASP . 67.2 t -75.85 -54.12 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.514 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.857 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -55.23 -41.07 71.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.634 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 39' ' ' VAL . 43.2 t -65.35 -49.22 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.33 46.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 29' ' ' VAL . 13.5 m-20 -62.1 -42.62 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.327 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -51.95 -42.43 62.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ASN . 27.0 mmtt -66.02 -50.52 63.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.381 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 45' ' ' ASP . 42.1 mt -51.83 -26.03 9.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.675 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -99.3 -27.73 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.743 HD11 HD22 ' A' ' 46' ' ' LEU . 17.3 mt -104.31 25.11 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -47.03 -28.84 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.932 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -97.7 152.49 38.17 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.1 Cg_endo -67.16 -18.87 51.21 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.775 2.317 . . . . 0.0 112.808 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -66.83 -38.85 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.247 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' C ' HG23 ' A' ' 50' ' ' ILE . 7.1 mtt180 -87.83 9.8 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.714 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.692 HD23 ' HE2' ' A' ' 59' ' ' PHE . 6.7 mt -53.3 -45.76 98.24 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 81.8 Cg_exo -43.05 -24.74 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.764 2.31 . . . . 0.0 113.639 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.985 HD22 HD11 ' A' ' 62' ' ' ILE . 3.6 mt -53.89 -44.93 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.368 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HE2' HD23 ' A' ' 56' ' ' LEU . 34.1 m-85 -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.367 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 9.7 t70 -74.86 -28.56 60.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.66 69.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.622 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.985 HD11 HD22 ' A' ' 58' ' ' LEU . 12.1 mt -74.92 -35.66 36.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -43.84 -54.06 11.58 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -178.706 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.457 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.2 Cg_exo -43.98 -53.11 4.89 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.131 2.554 . . . . 0.0 113.964 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -73.33 -7.0 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -86.16 141.97 35.55 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.954 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.62 137.6 1.62 Allowed 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 122.895 2.397 . . . . 0.0 113.233 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.11 -25.02 3.08 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.732 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -88.64 -34.99 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 51.4 m170 -75.34 -31.17 60.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.934 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' HD23 ' A' ' 68' ' ' LEU . 15.6 pt20 -63.85 -40.99 97.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.053 0.454 . . . . 0.0 109.808 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.5 t -65.56 -57.71 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.971 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -58.17 -34.65 70.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.7 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 10.0 t80 -61.24 -33.79 74.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.05 -34.15 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.094 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -65.89 -31.69 72.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.593 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.01 -39.28 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.01 151.54 67.12 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 -160.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.617 2.211 . . . . 0.0 112.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -79.19 170.64 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.07 32.95 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -110.2 -38.25 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.02 -48.89 72.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -57.13 -52.15 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.747 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -57.04 -32.27 66.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -58.1 9.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.17 83.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.12 -55.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.578 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.07 -33.32 75.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.39 -43.84 71.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 109.934 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.637 ' HA ' HD12 ' B' ' 115' ' ' ILE . 13.6 t80 -72.26 -34.32 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.616 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.92 -31.63 71.15 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.08 -32.32 30.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.836 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.9 mt -75.44 -35.01 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.44 38.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptm . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.13 106.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.793 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -152.18 -46.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.98 -32.06 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.57 HG11 ' HD1' ' B' ' 104' ' ' TYR . 41.0 t -52.49 -37.13 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.136 0.493 . . . . 0.0 110.217 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.88 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.8 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -39.54 84.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.82 -47.02 56.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.8 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.7 t80 -66.79 -35.65 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.24 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -74.39 -45.5 46.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.665 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.77 -42.61 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.784 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.8 mmtm -59.35 -57.6 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 9' ' ' PHE . 58.5 t -53.4 -37.26 28.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.811 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.56 -31.79 70.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.138 0.494 . . . . 0.0 110.633 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -93.26 -34.93 13.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.054 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.912 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.9 mp -95.47 -67.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.969 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.6 3.41 1.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.335 0.588 . . . . 0.0 112.023 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.912 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 m120 -108.03 126.51 52.81 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.667 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.95 -46.01 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.92 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HB2' HG23 ' A' ' 17' ' ' ILE . 12.9 mt-10 -64.5 -45.36 87.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.478 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.22 -31.93 73.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.091 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.99 -51.71 66.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.018 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 t80 -67.22 -46.35 74.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 26' ' ' LEU . 2.0 tt -57.43 -41.19 79.97 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.5 m-85 -60.5 -34.18 73.69 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.4 -32.84 66.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.304 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 25' ' ' TYR . 61.4 t -65.62 -54.44 28.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.25 -37.42 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.322 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -44.71 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.879 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.12 -40.95 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.436 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.63 -38.54 78.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' HB2' HD13 ' B' ' 109' ' ' ILE . 18.6 t60 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -56.22 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 32' ' ' MET . 2.1 t -77.57 -26.98 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.296 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.9 40.0 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.7 t70 -117.77 112.44 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 t -68.16 -23.35 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 38' ' ' ASP . 88.4 t -78.58 -45.7 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.1 pp -63.42 -39.2 93.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.2 t -64.74 -42.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -52.69 50.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.992 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.95 -43.17 99.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.753 HD22 HD11 ' A' ' 50' ' ' ILE . 10.2 mt -52.25 -36.82 53.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.408 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -69.19 -50.41 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.123 0.487 . . . . 0.0 110.244 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -26.57 11.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.722 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 t -100.46 -28.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.753 HD11 HD22 ' A' ' 46' ' ' LEU . 31.6 mt -104.48 25.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.8 p-10 -48.11 -28.11 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.001 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.84 152.02 37.88 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.6 Cg_endo -66.64 -18.86 54.14 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.731 2.287 . . . . 0.0 112.752 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 m -64.53 -37.78 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' HG23 ' A' ' 50' ' ' ILE . 26.3 mtt180 -88.05 11.65 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.635 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 53' ' ' PRO . 6.2 mt -53.57 -45.85 98.45 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.7 Cg_exo -41.95 -28.27 0.76 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.695 2.263 . . . . 0.0 113.482 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.893 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -55.35 -42.51 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -60.77 -46.93 88.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.052 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -75.08 -29.39 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.795 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.5 66.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.663 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.893 HD11 HD22 ' A' ' 58' ' ' LEU . 14.4 mt -74.61 -34.74 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.117 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.65 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.04 -54.06 9.58 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.749 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 19.2 Cg_endo -59.17 -52.98 4.03 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.349 2.033 . . . . 0.0 113.276 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -59.47 -20.6 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.599 0.238 . . . . 0.0 111.63 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -81.08 144.11 54.07 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.652 0.263 . . . . 0.0 111.194 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 99.7 Cg_exo -42.41 139.81 2.78 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 113.291 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.589 HD23 HE21 ' A' ' 71' ' ' GLN . 5.1 mt -49.98 -36.28 27.61 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -73.86 -46.2 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.323 0.583 . . . . 0.0 109.578 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 67' ' ' PRO . 11.9 m170 -63.71 -27.71 69.4 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.109 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.589 HE21 HD23 ' A' ' 68' ' ' LEU . 7.2 mt-30 -58.64 -54.16 50.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.53 -52.55 58.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.131 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.74 -35.12 68.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.738 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.511 ' HE2' HD11 ' A' ' 42' ' ' LEU . 9.8 t80 -61.02 -33.86 73.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -34.66 66.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.329 178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.62 -31.32 72.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.86 -33.3 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.477 HG21 ' CE1' ' A' ' 74' ' ' TYR . 25.6 p -92.26 133.74 29.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.33 104.71 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.445 2.096 . . . . 0.0 112.197 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.899 0.38 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -106.77 154.17 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.29 46.21 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -109.43 -41.8 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.57 ' HD1' HG11 ' A' ' 5' ' ' VAL . 98.5 m-85 -59.62 -37.76 79.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.677 HD23 HD11 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -59.28 -52.04 67.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.31 -58.2 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -46.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.677 HD11 HD23 ' B' ' 105' ' ' LEU . 79.0 mt -56.55 -55.43 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -63.99 -35.42 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -54.18 -42.03 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 16.7 t80 -72.43 -33.9 67.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.606 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.36 -32.12 70.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.08 -32.97 30.05 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.569 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.6 -73.01 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.03 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.316 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.788 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -63.81 173.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER 68.36 -58.21 0.47 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -31.87 34.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.652 0.263 . . . . 0.0 111.358 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' B' ' 104' ' ' TYR . 44.6 t -52.31 -37.48 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.277 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.06 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.733 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.04 83.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.71 -43.08 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.867 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -63.27 -44.97 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.294 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -72.3 -45.45 59.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -41.31 97.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmtp -60.94 -53.66 54.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.428 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.5 t -53.25 -37.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.75 -28.54 64.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -31.96 70.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.128 0.489 . . . . 0.0 110.311 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.3 mt -88.37 -51.97 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.159 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.891 HG22 ' HB2' ' A' ' 19' ' ' ASN . 7.1 mm -86.09 -58.71 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.373 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 66.2 3.75 2.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.571 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.891 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.5 m-20 -99.14 178.74 4.82 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.737 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -111.99 -46.96 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.52 85.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.047 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 17' ' ' ILE . 2.1 mp0 -67.27 -46.95 72.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.29 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.98 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.01 -50.76 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.893 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 t80 -67.27 -46.17 74.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.542 ' CD2' HD11 ' A' ' 30' ' ' LEU . 6.7 tt -57.38 -42.04 81.37 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.0 m-85 -61.91 -32.47 72.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -33.48 67.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.161 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' TYR . 58.8 t -63.38 -54.39 33.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 CA-C-O 120.873 0.368 . . . . 0.0 110.641 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 26' ' ' LEU . 1.6 mt -62.79 -33.06 74.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.134 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -65.34 -40.77 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -77.76 -31.63 52.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.184 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' OH ' HG22 ' A' ' 39' ' ' VAL . 15.2 t80 -66.05 -31.37 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.419 ' O ' ' HE2' ' A' ' 37' ' ' MET . 41.3 t-80 -68.94 -34.85 76.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -55.3 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 32' ' ' MET . 10.2 t -75.67 -30.18 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.54 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.419 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 6.7 mmt 62.19 41.15 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.609 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 41' ' ' VAL . 87.9 m-20 -111.61 110.58 21.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 43' ' ' VAL . 42.2 t -66.3 -24.58 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.76 -25.71 59.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' ASP . 50.1 t -78.97 -45.54 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.92 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.3 pp -64.34 -39.4 93.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.4 t -67.76 -40.93 84.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.445 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.5 -54.39 36.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.082 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -51.3 -37.51 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.701 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.4 mttt -69.27 -49.79 52.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.98 -27.2 12.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.609 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -99.61 -27.84 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.513 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 50' ' ' ILE . 41.6 mt -102.54 23.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' LYS . 14.1 t30 -48.57 -27.54 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.106 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 8.5 mt-10 -96.26 142.57 24.75 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.749 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 31.8 Cg_exo -58.51 -18.96 42.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.531 2.154 . . . . 0.0 112.76 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -38.52 90.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.399 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.87 8.3 26.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.79 -179.579 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 6.6 mt -50.19 -53.44 44.07 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.0 Cg_exo -36.18 -30.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.49 2.793 . . . . 0.0 113.746 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.023 HD22 HD11 ' A' ' 62' ' ' ILE . 1.5 mt -53.76 -44.92 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 50' ' ' ILE . 47.0 m-85 -57.9 -50.7 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.252 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -74.41 -25.13 59.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -50.5 53.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.716 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.023 HD11 HD22 ' A' ' 58' ' ' LEU . 6.0 mt -75.01 -35.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.6 -54.35 10.46 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.509 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 86.8 Cg_exo -46.87 -53.02 6.76 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.942 2.428 . . . . 0.0 113.515 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.0 -25.57 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.09 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER -71.08 139.68 85.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.187 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -37.68 137.09 0.41 Allowed 'Trans proline' 0 CA--C 1.509 -0.752 0 C-N-CA 123.433 2.755 . . . . 0.0 113.213 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.19 -37.84 37.05 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.628 -1.623 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -71.78 -45.51 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 0.0 109.864 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 33.4 m170 -66.24 -25.11 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.17 -52.84 63.15 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.66 -50.51 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.899 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.6 -36.33 73.85 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' HE2' HD11 ' A' ' 42' ' ' LEU . 10.9 t80 -58.05 -33.67 69.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -73.01 -48.79 33.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.095 178.751 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -66.51 -16.83 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.531 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.8 mt -99.02 -43.19 6.78 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.584 ' HB ' ' CD ' ' A' ' 79' ' ' PRO . 3.0 m -87.2 -74.72 0.05 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.584 ' CD ' ' HB ' ' A' ' 78' ' ' THR . 69.7 Cg_endo -74.02 -1.45 10.89 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.425 2.083 . . . . 0.0 112.737 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.827 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.78 21.07 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.156 0.503 . . . . 0.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.69 27.28 9.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -95.86 -34.99 11.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.689 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.499 ' CD2' HG11 ' A' ' 5' ' ' VAL . 81.6 m-85 -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -59.02 -52.07 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.32 71.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -58.0 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.15 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.5 mt -57.66 -55.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.27 -34.55 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.69 -41.25 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.112 0.482 . . . . 0.0 109.834 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' ILE . 1.9 t80 -72.03 -33.91 68.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -31.3 69.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.706 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -82.16 -34.63 29.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.56 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt -70.05 -34.41 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.87 54.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.847 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.823 0.345 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.33 86.16 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.48 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -73.42 -31.97 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' B' ' 104' ' ' TYR . 40.0 t -52.54 -33.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 108' ' ' ALA . . . -72.74 -38.71 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.583 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -67.68 -36.19 80.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.731 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -46.71 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.588 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.7 t80 -63.54 -40.07 96.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.71 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.92 -39.57 94.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 21.5 mmtt -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 9' ' ' PHE . 63.4 t -53.42 -38.55 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.606 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.16 -27.81 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.108 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -31.27 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.003 0.43 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -92.87 -48.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.195 -179.376 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.922 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.7 mp -90.08 -58.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.83 0.6 3.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.863 0.839 . . . . 0.0 110.058 -178.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.922 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.5 t-20 -95.86 169.31 10.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.495 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 96.3 m-20 -103.77 -47.27 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.65 75.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.398 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.06 -47.28 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.0 ptpt -66.54 -29.33 69.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -49.57 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.631 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.4 t80 -67.2 -47.2 71.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.41 -39.26 75.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD2' ' CZ ' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.59 -33.94 74.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.32 -35.7 68.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.071 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.753 ' CG1' HD23 ' A' ' 42' ' ' LEU . 28.3 t -63.31 -45.89 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 5.3 mt -63.23 -41.02 99.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.965 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -55.15 -40.3 70.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.324 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -66.04 -49.19 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.339 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CG ' HD12 ' A' ' 42' ' ' LEU . 61.7 t80 -56.25 -24.94 45.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.491 ' HB2' HD13 ' B' ' 109' ' ' ILE . 48.5 t-80 -73.94 -47.67 35.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 32' ' ' MET . 2.0 t -77.25 -31.07 54.74 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.6 mmt 63.86 49.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.827 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.561 ' OD2' HG21 ' A' ' 41' ' ' VAL . 15.4 p30 -105.76 108.97 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.56 -27.06 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.47 67.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.561 HG21 ' OD2' ' A' ' 38' ' ' ASP . 86.5 t -79.0 -44.6 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.753 HD23 ' CG1' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -56.29 -43.06 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.679 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 39' ' ' VAL . 31.4 t -63.94 -50.04 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.03 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -52.98 41.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.234 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.65 -43.03 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 9.4 mt -52.63 -35.55 54.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.47 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 23.8 mmtp -70.78 -50.55 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.86 -26.73 10.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.63 -27.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.425 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 50' ' ' ILE . 45.4 mt -103.62 24.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.01 -28.28 1.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.019 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.08 155.85 36.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.695 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -68.94 -22.74 35.5 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.602 2.202 . . . . 0.0 112.823 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -61.1 -35.96 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.7 mpt_? -88.14 14.26 9.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.713 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.5 mt -56.89 -46.71 99.83 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 90.8 Cg_exo -43.92 -25.81 1.17 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.849 2.366 . . . . 0.0 113.58 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -53.89 -48.27 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.662 ' HE2' HD23 ' A' ' 56' ' ' LEU . 12.6 m-85 -52.91 -50.78 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -74.31 -24.77 59.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.792 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.64 59.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.567 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 46' ' ' LEU . 32.2 mt -75.06 -35.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.02 9.93 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.0 Cg_exo -42.3 -53.68 3.51 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.816 2.344 . . . . 0.0 113.431 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.19 -26.44 60.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.672 HG13 HG22 ' A' ' 62' ' ' ILE . 45.4 mt -67.2 130.31 93.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.7 Cg_exo -40.28 138.93 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.071 2.514 . . . . 0.0 112.885 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.1 mt -49.96 -45.67 51.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.57 -1.65 . . . . 0.0 111.645 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.32 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.115 0.483 . . . . 0.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.8 m170 -67.58 -26.74 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -62.67 -46.76 86.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.032 0.444 . . . . 0.0 109.828 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.17 -55.6 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.945 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.7 mt-10 -58.4 -34.81 71.14 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.642 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.08 -33.42 72.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -72.69 -39.18 67.25 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.188 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -66.42 -24.71 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' GLU . 3.1 mt -89.36 -30.48 18.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.806 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.431 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -45.58 -58.64 5.66 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.623 -179.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 78' ' ' THR . 65.8 Cg_endo -75.41 -172.36 1.27 Allowed 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.905 2.404 . . . . 0.0 112.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.42 159.28 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 59.41 43.49 16.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -144.23 -45.24 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.619 ' CD2' HG21 ' A' ' 5' ' ' VAL . 82.2 m-85 -69.85 -31.03 68.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.599 ' HG ' HD12 ' B' ' 109' ' ' ILE . 40.2 tp -65.65 -52.21 53.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -57.62 -58.18 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . . . -70.01 -41.01 74.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.599 HD12 ' HG ' ' B' ' 105' ' ' LEU . 11.9 mt -56.37 -55.52 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.59 -35.87 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.598 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -43.48 66.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.115 0.483 . . . . 0.0 109.866 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.754 ' HA ' HD12 ' B' ' 115' ' ' ILE . 37.8 t80 -71.07 -33.77 70.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.563 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -60.34 -31.16 70.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.754 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.66 30.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.8 mt -72.76 -36.09 51.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.947 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.0 35.34 1.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.984 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 5' ' ' VAL . 3.0 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.764 0.316 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -98.43 32.0 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 -47.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -64.29 -31.75 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' B' ' 104' ' ' TYR . 39.9 t -52.49 -34.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 7.9 mtm180 -67.91 -41.22 83.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.533 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -31.82 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.6 t80 -75.98 -41.2 52.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 109.996 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -41.35 60.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.597 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 14.7 m170 -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.692 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.2 mmtp -59.24 -57.87 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 46.3 t -53.32 -37.65 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.689 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.09 -30.93 71.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.569 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -32.5 71.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.15 0.5 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 57' ' ' PRO . 2.9 mt -82.95 -50.86 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.244 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -76.12 -56.93 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.0 111.669 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 65.1 4.23 2.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.359 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.4 t30 -110.16 -171.46 1.84 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.6 -47.17 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.39 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' OE1' HG23 ' A' ' 17' ' ' ILE . 19.0 mt-10 -66.38 -46.89 75.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 16.1 ttmt -63.82 -31.56 72.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.188 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.05 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.27 -45.69 75.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.759 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 58' ' ' LEU . 1.9 tp -57.46 -44.14 84.59 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -60.06 -33.37 71.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 177.229 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.4 -32.83 66.71 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.155 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' TYR . 43.8 t -69.78 -47.38 70.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.548 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.0 -33.78 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -46.33 75.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.543 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 10.7 ptm -69.61 -33.04 72.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 42' ' ' LEU . 2.0 t80 -62.01 -43.01 99.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.527 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -72.65 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 5.0 t -77.57 -23.94 49.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.225 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.32 37.37 4.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.897 0.38 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.699 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.7 m-20 -109.71 110.71 21.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.5 t -72.16 -25.46 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.045 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.14 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 38' ' ' ASP . 58.9 t -78.98 -45.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.6 pp -63.19 -38.91 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.573 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 39' ' ' VAL . 60.8 t -63.48 -43.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.598 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.35 -55.32 31.38 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.162 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.451 ' HB2' HG11 ' A' ' 29' ' ' VAL . 3.1 m-20 -59.7 -43.11 94.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -50.33 -43.58 54.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -65.86 -48.81 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.77 -27.12 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 t -98.8 -28.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 46' ' ' LEU . 14.9 mt -101.7 23.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.7 p30 -46.94 -28.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 23.3 mm-40 -98.56 140.97 22.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 43.6 Cg_exo -56.79 -23.0 47.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.638 2.225 . . . . 0.0 112.633 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -58.99 -36.42 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.488 ' CB ' HG23 ' A' ' 50' ' ' ILE . 38.2 mtt85 -87.94 16.67 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.808 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 14.0 mt -52.98 -47.38 95.78 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 16' ' ' LEU . 85.9 Cg_exo -42.73 -28.98 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.76 2.306 . . . . 0.0 113.343 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -57.06 -33.57 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.148 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 50' ' ' ILE . 22.0 m-85 -71.09 -46.74 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.8 m-20 -75.19 -27.78 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -50.83 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 15.1 mt -74.8 -34.6 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.254 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 66' ' ' ILE . 31.6 ttt180 -43.6 -52.88 13.08 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 15.0 Cg_endo -57.9 -53.07 4.81 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.511 2.14 . . . . 0.0 113.529 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -67.41 -10.61 52.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.212 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -85.17 145.01 42.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 110.905 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 96.8 Cg_exo -42.3 138.4 3.19 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.861 2.374 . . . . 0.0 113.188 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.12 -42.99 51.5 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 113.572 -1.649 . . . . 0.0 111.302 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -72.2 -37.9 69.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 109.705 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.6 m170 -67.25 -26.18 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.482 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.1 mt-30 -60.81 -50.89 71.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 109.958 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.53 -52.59 59.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.892 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.47 -33.7 70.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.642 ' CE1' HG22 ' A' ' 43' ' ' VAL . 53.9 t80 -61.11 -33.55 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.73 -40.43 66.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.133 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.33 -26.17 67.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.29 -29.36 20.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.82 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.442 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -46.04 -56.53 10.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.54 -179.563 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 78' ' ' THR . 74.3 Cg_endo -77.45 161.86 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.854 2.369 . . . . 0.0 112.293 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.826 0.346 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 -178.98 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.68 28.2 17.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -89.79 -34.75 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.677 ' HD2' HG11 ' A' ' 5' ' ' VAL . 25.1 m-85 -72.8 -34.51 66.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.2 -50.52 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -34.41 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -58.06 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.02 -37.38 84.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.683 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.85 -55.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.812 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -35.23 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.729 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.01 -43.61 70.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 109.79 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 56.3 t80 -70.3 -33.83 72.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.537 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.75 -30.52 68.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.751 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.02 -35.26 29.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.743 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 27.9 mt -70.62 -35.76 62.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.37 53.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.914 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -160.95 124.59 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -47.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.53 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG21 ' HE1' ' B' ' 104' ' ' TYR . 44.4 t -52.32 -33.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.07 0.462 . . . . 0.0 110.251 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -40.55 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.67 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -67.76 -39.13 84.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.731 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -72.53 -36.83 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.271 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.3 t80 -69.34 -43.66 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.19 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -43.06 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -45.44 94.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.55 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.21 -53.26 60.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' PHE . 51.1 t -53.39 -37.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.545 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -72.14 -27.47 62.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -69.74 -33.68 72.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.061 0.458 . . . . 0.0 110.568 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -91.54 -47.04 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.977 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.948 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.5 mp -81.76 -65.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 62.53 3.4 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.334 0.588 . . . . 0.0 111.892 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.948 ' H ' HG22 ' A' ' 17' ' ' ILE . 7.4 m-20 -107.37 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.44 -42.75 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.26 95.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.192 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' HG23 ' A' ' 17' ' ' ILE . 3.4 mt-10 -67.64 -45.29 75.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -65.55 -33.09 75.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.146 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.48 -48.11 81.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 t80 -67.26 -49.35 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.688 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -57.31 -39.36 75.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.795 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 2.4 m-85 -62.01 -34.26 75.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.53 66.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.261 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.7 t -67.77 -54.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.85 -38.02 77.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -44.29 93.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.445 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.895 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 mmm -71.05 -44.07 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.18 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 9.9 t80 -56.4 -26.13 52.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.745 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HB2' HD13 ' B' ' 109' ' ' ILE . 39.3 t60 -74.53 -42.74 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.167 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -62.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.81 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 32' ' ' MET . 6.2 t -65.91 -26.37 67.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.605 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 10.0 mmt 60.66 30.72 19.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.759 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.649 ' HB3' HG23 ' A' ' 41' ' ' VAL . 2.6 m-20 -99.29 112.74 24.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.8 t -77.02 -25.24 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.1 61.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.474 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 38' ' ' ASP . 60.4 t -78.9 -44.34 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.028 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.65 -36.31 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.475 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' VAL . 95.8 t -63.31 -44.83 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.463 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.57 44.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.975 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m-20 -60.0 -41.65 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -53.02 -39.87 63.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.795 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -66.79 -50.32 63.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.149 0.5 . . . . 0.0 110.23 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.3 mt -51.89 -26.64 10.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.541 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' ASP . 24.6 t -98.48 -27.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.341 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.729 HD11 HD22 ' A' ' 46' ' ' LEU . 23.6 mt -101.17 22.2 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.055 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.38 150.28 36.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.4 Cg_exo -61.6 -25.97 79.86 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.587 2.192 . . . . 0.0 112.579 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.551 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.14 17.62 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.807 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.8 -45.82 99.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HG2' HD22 ' A' ' 16' ' ' LEU . 85.8 Cg_exo -47.56 -23.0 3.22 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.711 2.274 . . . . 0.0 113.519 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.965 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -53.96 -44.34 70.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.686 0.279 . . . . 0.0 111.499 -179.471 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.4 m-85 -57.9 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.336 . . . . 0.0 111.244 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -74.9 -25.27 58.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.95 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.563 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 58' ' ' LEU . 16.6 mt -75.07 -35.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.4 ttp180 -43.25 -53.43 11.08 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 87.6 Cg_exo -45.49 -53.23 5.72 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.255 . . . . 0.0 112.941 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD21 HG23 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -73.79 -14.48 61.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.248 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 62' ' ' ILE . 43.8 mt -82.82 135.45 45.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.065 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.3 Cg_exo -41.85 140.33 2.04 Favored 'Trans proline' 0 CA--C 1.51 -0.685 0 C-N-CA 123.109 2.539 . . . . 0.0 112.872 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.22 -45.01 53.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.774 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -66.54 -46.82 74.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.12 0.486 . . . . 0.0 110.111 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.535 ' CG ' HG21 ' A' ' 39' ' ' VAL . 36.1 m170 -64.99 -28.09 69.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.424 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 66' ' ' ILE . 35.4 mt-30 -60.97 -47.19 87.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.975 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.8 t -61.39 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.154 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.78 -36.14 69.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.837 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 43' ' ' VAL . 66.3 t80 -59.61 -33.53 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.482 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 40.9 t0 -72.91 -37.06 67.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.286 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.53 -27.18 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.739 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.0 mt -96.95 -24.29 15.9 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -48.08 -59.4 5.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 111.663 -179.474 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 78' ' ' THR . 59.9 Cg_endo -73.55 144.81 36.51 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.931 2.421 . . . . 0.0 112.48 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.73 124.59 47.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.32 32.79 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -85.86 -46.7 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HE1' HG21 ' A' ' 5' ' ' VAL . 2.5 m-85 -61.83 -54.01 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.663 HD22 HD11 ' B' ' 109' ' ' ILE . 2.2 mt -56.44 -52.0 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.77 -32.17 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -58.15 9.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -45.65 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.663 HD11 HD22 ' B' ' 105' ' ' LEU . 86.9 mt -56.61 -55.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.984 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -35.44 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.22 -41.92 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 109.902 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.0 t80 -72.3 -33.79 67.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.657 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.52 -31.87 70.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.734 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.21 -32.96 29.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.711 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt -74.15 -34.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.33 38.58 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.35 119.57 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -46.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -32.02 72.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' B' ' 104' ' ' TYR . 41.0 t -52.52 -35.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.06 0.457 . . . . 0.0 110.121 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -39.13 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.608 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -38.14 83.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.06 -41.31 67.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t80 -68.36 -43.52 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.323 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -40.1 66.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -46.06 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.779 0.323 . . . . 0.0 110.634 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.4 mmtp -59.53 -52.04 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.6 t -53.37 -37.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.777 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.47 -28.74 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.028 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.95 -32.68 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.999 0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -93.31 -43.6 8.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.406 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.96 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.7 mp -87.88 -62.78 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.171 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 61.08 3.62 0.72 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.299 0.571 . . . . 0.0 111.905 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.96 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -105.22 135.29 46.84 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.67 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.04 -51.66 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.18 92.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.735 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 50.2 mt-10 -68.38 -42.6 78.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.398 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 2.5 ttmp? -58.88 -28.9 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 -52.0 45.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.205 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.766 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.2 -32.99 74.42 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.154 -0.619 . . . . 0.0 111.463 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.015 HD11 HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -68.68 -48.07 64.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.28 -34.74 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 45' ' ' ASP . 71.6 t -62.66 -53.82 41.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.594 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.07 -39.6 92.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.255 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -63.18 -40.16 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.557 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.897 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -70.34 -42.08 72.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.934 0.397 . . . . 0.0 110.476 179.618 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.0 t80 -59.66 -31.71 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.834 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -84.61 -30.28 25.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.1 -62.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 32' ' ' MET . 9.2 t -73.91 -21.69 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.434 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt 61.37 45.09 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.948 0.404 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -125.06 112.55 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.1 t -67.7 -23.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.92 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 0.0 110.427 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 38' ' ' ASP . 63.3 t -78.95 -37.72 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -66.72 -39.01 87.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.261 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 39' ' ' VAL . 50.5 t -65.37 -47.76 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.18 41.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.126 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.787 ' HB3' HG22 ' A' ' 29' ' ' VAL . 25.6 m-20 -59.73 -40.92 89.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.939 0.399 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 HD11 ' A' ' 50' ' ' ILE . 11.0 mt -58.52 -29.76 66.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.4 mmtp -71.5 -50.81 27.78 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.71 -20.09 54.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.524 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.766 HG22 ' CE1' ' A' ' 25' ' ' TYR . 54.0 t -99.53 -29.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.199 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 HD22 ' A' ' 46' ' ' LEU . 27.6 mt -107.24 21.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.374 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 5.8 p30 -50.25 -27.52 6.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.956 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.63 147.32 33.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' O ' HD12 ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.77 -27.84 79.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.473 2.116 . . . . 0.0 112.48 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -59.97 -37.63 80.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.654 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.15 17.41 5.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.785 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.2 mt -61.45 -44.02 91.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.649 ' HG2' HD22 ' A' ' 16' ' ' LEU . 83.2 Cg_exo -46.19 -23.02 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.683 2.256 . . . . 0.0 113.382 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.026 HD22 HD11 ' A' ' 62' ' ' ILE . 3.4 mt -53.89 -40.34 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.636 0.255 . . . . 0.0 111.486 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 50' ' ' ILE . 92.6 m-85 -61.85 -50.89 70.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 111.337 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.31 -28.2 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.62 -49.78 61.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.026 HD11 HD22 ' A' ' 58' ' ' LEU . 5.5 mt -75.2 -34.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.573 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -42.92 -50.59 13.39 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.728 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 7.4 Cg_endo -49.68 -53.24 7.37 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.297 1.998 . . . . 0.0 112.916 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.68 -8.85 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 111.215 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 62' ' ' ILE . 38.1 mt -84.6 128.85 59.58 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' B' ' 105' ' ' LEU . 96.9 Cg_exo -43.26 141.05 3.35 Favored 'Trans proline' 0 CA--C 1.509 -0.749 0 C-N-CA 122.996 2.464 . . . . 0.0 113.141 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -50.18 -46.56 54.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 1.1 ptpp? -67.18 -41.7 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.482 . . . . 0.0 109.98 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 49.5 m170 -66.61 -30.12 70.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.243 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.91 -45.76 93.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.07 -55.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.852 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.35 -35.18 69.59 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG22 ' A' ' 43' ' ' VAL . 27.1 t80 -59.8 -33.51 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -36.63 66.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.186 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -65.76 -30.36 71.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt -84.21 -39.77 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 p -71.18 149.35 94.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.13 85.28 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.944 0.402 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.77 169.12 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -126.29 -44.48 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.434 ' CD1' HG11 ' A' ' 5' ' ' VAL . 1.8 m-85 -57.59 -52.26 66.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.53 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -58.23 -52.37 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.75 -33.55 73.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.64 -58.13 9.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.54 -41.92 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 105' ' ' LEU . 71.8 mt -56.91 -55.49 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.23 -35.08 79.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.91 -43.33 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 109.797 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.878 ' HA ' HD12 ' B' ' 115' ' ' ILE . 65.1 t80 -70.64 -34.24 71.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -29.75 69.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.742 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -35.29 29.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.562 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' B' ' 112' ' ' TYR . 8.3 mt -71.37 -57.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 57.84 31.89 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LYS . . . . . 0.491 ' HB2' HG22 ' B' ' 115' ' ' ILE . 6.4 mmtt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.784 0.326 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.13 33.75 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -128.12 -47.77 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -61.07 -31.89 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -52.24 -33.48 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.225 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' NH2' ' A' ' 10' ' ' ARG . . . -72.6 -41.36 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.669 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.4 ttp180 -67.86 -38.43 83.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.42 -47.71 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.474 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.826 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.0 t80 -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.171 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' NH2' ' HB1' ' A' ' 6' ' ' ALA . 21.9 ttm105 -71.64 -49.24 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.924 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 3.6 t-160 -59.26 -44.01 92.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.073 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -59.28 -53.77 54.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 9' ' ' PHE . 44.5 t -58.05 -39.63 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 18' ' ' GLU . 35.4 t70 -72.99 -22.72 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' CD2' ' A' ' 11' ' ' HIS . 1.1 m-85 -69.33 -54.91 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.259 0.552 . . . . 0.0 110.086 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -64.93 -41.93 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.521 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.873 HG13 HD12 ' A' ' 16' ' ' LEU . 10.1 mt -88.37 -63.71 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 27.3 tt0 68.1 3.68 3.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.187 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.861 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 t-20 -102.95 163.56 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.774 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.04 -45.32 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.97 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.62 -45.05 88.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.453 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 9.1 ttmt -64.76 -32.96 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.143 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -47.31 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -67.31 -48.66 66.96 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -57.23 -42.53 81.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 0.4 OUTLIER -60.32 -34.92 74.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.154 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -31.06 65.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.196 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.5 t -69.45 -54.33 20.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 9' ' ' PHE . 17.0 mt -59.8 -37.23 78.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.53 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.796 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.875 ' O ' HG22 ' A' ' 36' ' ' THR . 8.7 ptm -73.49 -30.26 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.852 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.6 t80 -62.64 -41.58 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.17 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.01 -59.58 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 32' ' ' MET . 4.5 t -74.97 -25.6 58.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.277 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.49 48.94 4.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 41' ' ' VAL . 10.6 m-20 -121.29 107.89 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.852 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.2 t -69.54 -25.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.323 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -25.47 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.435 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.9 -43.19 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 66' ' ' ILE . 1.2 pp -65.61 -37.91 87.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.6 t -65.72 -42.64 92.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.41 -54.03 41.04 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.198 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.93 -44.53 97.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.6 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.36 -39.3 46.07 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ASN . 10.3 mttm -68.39 -49.5 59.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -52.03 -26.46 10.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.614 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.39 -27.81 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.777 HD11 HD22 ' A' ' 46' ' ' LEU . 24.2 mt -102.9 23.69 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.224 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -49.71 -27.44 4.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -100.21 144.25 28.05 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.4 Cg_exo -57.16 -24.79 60.68 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.509 2.139 . . . . 0.0 112.61 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -56.51 -38.38 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.373 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.02 15.52 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.743 -179.765 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.9 mt -53.77 -46.66 98.31 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HB2' HD22 ' A' ' 16' ' ' LEU . 80.9 Cg_exo -42.42 -28.88 1.08 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.693 2.262 . . . . 0.0 113.373 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 62' ' ' ILE . 1.1 mt -60.39 -41.74 94.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 111.138 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' A' ' 50' ' ' ILE . 34.6 m-85 -60.23 -50.66 72.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 10.4 t70 -75.25 -27.27 59.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.88 -52.39 37.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.897 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.953 HD11 HD22 ' A' ' 58' ' ' LEU . 17.9 mt -74.91 -34.91 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.265 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.605 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -43.41 -54.03 10.55 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -52.07 -53.15 7.45 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.785 2.324 . . . . 0.0 114.03 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -68.0 -10.46 53.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.641 HD11 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -85.22 141.22 37.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.68 0.276 . . . . 0.0 111.052 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.9 140.37 3.06 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 122.918 2.412 . . . . 0.0 113.146 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.01 -42.4 49.15 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.289 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -39.37 75.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.232 0.539 . . . . 0.0 109.638 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.591 ' CG ' HG21 ' A' ' 39' ' ' VAL . 41.2 m170 -66.13 -31.4 72.23 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.173 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.0 mt-30 -58.57 -49.2 78.3 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -58.44 -54.28 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.783 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.35 -33.1 67.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.514 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 42' ' ' LEU . 8.8 t80 -60.76 -33.45 72.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -73.03 -34.67 66.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.282 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -65.73 -32.79 74.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -80.1 -40.28 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.046 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 7.7 p -59.13 159.88 13.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 12.3 Cg_endo -55.6 179.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.581 2.187 . . . . 0.0 112.193 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.989 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.909 0.385 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.32 177.41 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.05 31.1 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -104.02 -34.75 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -65.16 -40.86 94.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.791 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.92 -52.09 66.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.756 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.74 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -59.43 -58.1 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.26 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.68 -55.42 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -65.74 -33.7 76.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -46.91 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.085 0.469 . . . . 0.0 109.775 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 4.1 t80 -69.91 -33.9 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.551 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.49 -29.71 69.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.718 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.94 -35.15 29.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.643 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.3 -31.48 54.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.96 45.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.956 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 mtt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.895 0.378 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -103.56 62.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -165.48 -50.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -31.99 72.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' B' ' 104' ' ' TYR . 39.3 t -52.56 -36.05 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.461 . . . . 0.0 110.303 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.62 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -37.76 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.78 -50.05 46.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 13' ' ' VAL . 53.1 t80 -65.51 -40.11 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.37 -41.18 73.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -64.2 -48.51 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 mptt -59.24 -54.09 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.99 0.424 . . . . 0.0 110.299 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 9' ' ' PHE . 92.3 t -53.35 -37.0 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.577 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -70.34 -30.45 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.95 -32.81 71.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -90.38 -44.93 9.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.206 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.937 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.0 mp -85.23 -66.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 61.9 3.44 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.337 0.589 . . . . 0.0 111.968 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.937 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -103.36 -175.05 2.69 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.691 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -110.31 -49.29 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.64 83.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 17' ' ' ILE . 17.6 mt-10 -68.29 -46.26 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.522 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -63.14 -32.87 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.96 -51.97 65.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.017 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 29' ' ' VAL . 67.4 t80 -67.18 -45.03 78.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.879 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 13' ' ' VAL . 1.6 tt -57.44 -43.22 83.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.16 -33.75 72.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -72.33 -33.66 67.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.167 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' CB ' ' A' ' 45' ' ' ASP . 66.2 t -62.26 -46.77 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.381 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.43 -46.06 90.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.148 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -55.57 -32.3 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.385 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.751 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -71.16 -51.17 26.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.449 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.744 ' CG ' HD12 ' A' ' 42' ' ' LEU . 4.2 t80 -56.4 -24.39 44.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -82.0 -42.97 18.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.889 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -62.46 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.942 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 32' ' ' MET . 8.2 t -76.63 -35.43 58.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.009 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.2 mmt 60.96 53.28 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.735 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -121.87 112.44 18.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 t -57.65 -22.74 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.195 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.55 62.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.244 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 38' ' ' ASP . 93.9 t -74.59 -50.61 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.744 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -56.31 -46.44 79.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.693 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.5 t -65.58 -44.7 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' CB ' HG22 ' A' ' 29' ' ' VAL . 2.4 m-20 -61.66 -47.01 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -50.47 -42.57 54.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.7 mmtt -64.75 -50.48 66.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.332 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.02 -26.3 10.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.678 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.22 -27.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 46' ' ' LEU . 7.5 mt -103.41 23.01 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.355 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.83 -29.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.894 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 12.9 mt-10 -102.59 144.06 27.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.637 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 45.8 Cg_exo -56.32 -23.07 44.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.521 2.148 . . . . 0.0 112.677 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -36.89 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.397 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.11 18.92 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.877 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.4 mt -57.26 -46.23 99.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 79.4 Cg_exo -42.95 -26.87 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.791 2.327 . . . . 0.0 113.426 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 62' ' ' ILE . 5.7 mt -55.41 -36.58 66.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.277 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.438 ' HD1' ' HH ' ' A' ' 74' ' ' TYR . 79.2 m-85 -64.65 -51.01 64.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.143 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 t70 -75.11 -28.84 60.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.69 59.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.978 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 HD22 ' A' ' 58' ' ' LEU . 7.0 mt -74.97 -35.45 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -43.35 -53.34 11.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 98.2 Cg_exo -42.55 -54.09 3.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 113.573 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 105' ' ' LEU . 4.3 pp -74.49 -23.77 58.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.716 0.294 . . . . 0.0 111.067 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' LEU . 43.9 mt -68.45 133.22 91.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.83 139.8 13.74 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 122.821 2.347 . . . . 0.0 112.791 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.2 mt -50.1 -45.15 52.52 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 113.775 -1.557 . . . . 0.0 111.66 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -65.4 -50.7 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.145 0.498 . . . . 0.0 109.877 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 11.7 m170 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.35 -46.36 90.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.066 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.7 t -61.36 -55.04 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.102 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -34.09 69.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' OH ' HD13 ' A' ' 46' ' ' LEU . 49.1 t80 -60.97 -33.78 73.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.39 -35.66 65.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.327 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.9 -33.59 76.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 HG21 ' A' ' 43' ' ' VAL . 6.0 mt -80.38 -33.62 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -84.57 112.72 44.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.12 165.22 2.18 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.43 2.087 . . . . 0.0 112.395 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.922 0.391 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -111.36 107.91 17.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 171.08 -45.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -33.67 72.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.462 ' CD1' HG11 ' A' ' 5' ' ' VAL . 48.2 m-85 -47.29 -39.75 15.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.315 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.93 -52.21 66.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -58.12 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.45 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.25 -55.55 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -64.25 -37.7 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -40.62 66.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 109.837 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.487 ' HA ' HD12 ' B' ' 115' ' ' ILE . 8.0 t80 -72.4 -34.54 67.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.657 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.26 69.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -82.15 -33.79 29.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.699 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 112' ' ' TYR . 15.6 mt -76.22 -70.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 57.51 43.13 23.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.809 0.338 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -137.02 31.46 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -143.73 -52.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.01 64.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' B' ' 104' ' ' TYR . 28.5 t -52.39 -35.18 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.39 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.9 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -67.75 -35.69 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.913 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.12 -50.13 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.836 ' O ' HG23 ' A' ' 13' ' ' VAL . 26.0 t80 -62.19 -37.01 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.228 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -74.19 -49.36 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.09 -34.36 77.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.2 mmtm -63.73 -54.99 26.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.372 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.4 t -53.38 -37.48 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.575 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -30.53 68.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -30.34 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.18 0.514 . . . . 0.0 110.386 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.799 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -87.1 -52.57 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.051 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 19' ' ' ASN . 10.5 mm -84.41 -62.94 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.601 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 26.7 tt0 67.58 3.9 3.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.395 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.0 t-20 -105.35 178.88 4.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.37 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -66.15 -44.24 84.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 179.647 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.194 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.1 76.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.841 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.0 t80 -67.15 -46.46 73.98 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD11 HD11 ' A' ' 58' ' ' LEU . 1.5 tt -57.24 -43.76 83.23 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.77 -33.66 71.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.337 178.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 42' ' ' LEU . 59.0 t -64.88 -49.58 79.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.643 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' HE2' ' A' ' 9' ' ' PHE . 32.2 mt -63.39 -39.84 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -36.02 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -74.92 -49.85 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.674 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CG ' HD12 ' A' ' 42' ' ' LEU . 29.4 t80 -59.09 -25.47 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CB ' HD13 ' B' ' 109' ' ' ILE . 16.5 t60 -84.8 -34.5 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.736 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -78.38 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.259 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 32' ' ' MET . 8.9 t -74.42 -27.9 60.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.655 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.4 mmt 63.16 51.39 2.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.731 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.855 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -123.32 112.37 17.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 43' ' ' VAL . 24.6 t -62.53 -25.16 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.12 -24.02 62.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.29 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.6 t -74.92 -54.73 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.595 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.796 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -55.21 -44.98 75.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.571 179.616 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.7 t -62.5 -46.18 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.71 -57.27 20.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -62.03 -40.99 97.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.809 HD22 HD11 ' A' ' 50' ' ' ILE . 9.9 mt -54.34 -37.94 65.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' ASN . 13.8 mmtp -70.19 -50.76 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.12 -27.6 14.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.058 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.16 -28.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 HD22 ' A' ' 46' ' ' LEU . 41.7 mt -105.12 25.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.184 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -46.77 -29.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.73 152.89 38.78 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 51.5 Cg_endo -68.84 -20.95 38.74 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.773 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -34.91 76.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.252 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' CB ' HG23 ' A' ' 50' ' ' ILE . 11.1 mtt85 -88.07 16.46 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.651 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 53' ' ' PRO . 11.9 mt -55.93 -44.92 99.92 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.2 Cg_exo -43.91 -24.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.715 2.277 . . . . 0.0 113.702 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -54.12 -53.06 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.376 -179.717 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -51.59 -49.15 62.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.1 t70 -74.97 -24.99 58.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.87 -51.61 46.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.686 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.689 HG22 HG13 ' A' ' 66' ' ' ILE . 10.1 mt -74.97 -34.61 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.206 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.574 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 2.0 ttt180 -42.83 -51.25 12.6 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.5 Cg_endo -53.85 -53.44 6.44 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.291 1.994 . . . . 0.0 113.126 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.913 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.87 -8.0 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.689 HG13 HG22 ' A' ' 62' ' ' ILE . 9.4 mt -81.98 134.59 49.47 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.533 0.206 . . . . 0.0 110.772 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -40.55 136.32 1.84 Allowed 'Trans proline' 0 CA--C 1.509 -0.741 0 C-N-CA 123.135 2.557 . . . . 0.0 112.96 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.28 -44.58 53.92 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.604 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 17.3 pttt -67.09 -46.76 73.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m170 -64.55 -28.22 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.527 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -59.7 -50.47 73.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.049 0.452 . . . . 0.0 109.845 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 72' ' ' VAL . 3.9 t -58.43 -52.6 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.742 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.86 -33.94 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.567 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -60.06 -33.92 72.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.18 -36.22 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.392 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -65.9 -32.74 74.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD13 HG12 ' A' ' 39' ' ' VAL . 5.7 mt -86.41 -26.07 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.7 p -99.6 97.14 5.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.89 -167.68 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.414 2.076 . . . . 0.0 112.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.367 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -162.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.57 10.43 15.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.87 70.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.738 0.304 . . . . 0.0 110.773 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' TYR . . . . . 0.5 ' CD2' HG11 ' A' ' 5' ' ' VAL . 59.2 m-85 -60.97 -52.29 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.913 HD12 HD12 ' A' ' 65' ' ' LEU . 2.8 tp -56.64 -52.07 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -32.15 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.8 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -58.06 10.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.52 -42.7 67.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 105' ' ' LEU . 85.6 mt -57.01 -55.33 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.856 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -63.11 -35.61 80.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -40.06 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' TYR . . . . . 0.702 ' HA ' HD12 ' B' ' 115' ' ' ILE . 21.8 t80 -72.34 -34.13 67.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.87 -31.52 69.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.817 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -34.15 29.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.617 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' B' ' 112' ' ' TYR . 14.1 mt -71.78 -35.01 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.04 55.05 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -60.57 -31.75 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.749 HG21 ' CE2' ' B' ' 104' ' ' TYR . 41.0 t -52.17 -33.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.076 0.465 . . . . 0.0 110.061 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.9 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.788 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 7.5 ttp180 -67.9 -42.16 81.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 23.3 mt-10 -70.42 -31.43 68.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.26 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 t80 -76.13 -43.43 43.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.329 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -75.42 -34.75 61.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 12.0 t-160 -71.74 -35.59 70.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.822 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.94 -54.28 19.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 38.2 t -53.65 -37.64 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.18 -29.86 65.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.655 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.52 66.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.604 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -86.69 -51.61 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.237 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 19' ' ' ASN . 21.0 mm -77.09 -54.08 13.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.67 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 64.13 4.07 1.95 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.447 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.636 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.7 t30 -104.79 171.15 7.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.08 -49.62 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -40.97 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HB2' HG21 ' A' ' 17' ' ' ILE . 14.6 mt-10 -66.82 -46.96 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -32.08 73.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.181 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.27 -50.9 69.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.773 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 65.1 t80 -67.26 -46.46 73.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.641 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.814 HD21 HD21 ' A' ' 58' ' ' LEU . 40.5 tp -57.4 -40.99 79.43 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.8 m-85 -61.34 -32.42 72.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.52 -33.96 69.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.909 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 42' ' ' LEU . 47.0 t -61.97 -47.7 92.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.442 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.24 -43.79 98.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.256 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -33.73 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.378 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.899 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.08 -52.2 20.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.336 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CG ' HD12 ' A' ' 42' ' ' LEU . 32.4 t80 -56.16 -23.54 35.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB2' HD13 ' B' ' 109' ' ' ILE . 54.0 t-80 -77.49 -46.81 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.864 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' O ' ' A' ' 32' ' ' MET . 15.0 t -67.58 -32.2 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.993 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.3 mmt 59.04 49.35 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 0.0 110.719 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' CG ' HG23 ' A' ' 41' ' ' VAL . 44.3 t0 -124.35 101.36 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -57.35 -29.48 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.452 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -67.01 -25.12 66.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' CG ' ' A' ' 38' ' ' ASP . 92.3 t -78.91 -43.01 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -58.13 -46.13 86.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.746 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 47' ' ' LYS . 22.0 t -57.36 -44.56 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.36 -56.79 23.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 48' ' ' LEU . 9.3 m-20 -62.13 -49.15 77.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.855 0.359 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -50.75 -33.77 24.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.797 ' HD2' HG12 ' A' ' 43' ' ' VAL . 4.7 mtpt -70.88 -50.79 31.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.272 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -52.88 -26.05 13.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 t -101.06 -28.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 50' ' ' ILE . 46.0 mt -104.84 24.9 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.312 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -47.61 -28.25 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.1 146.45 32.32 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.752 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.8 Cg_exo -58.78 -26.17 79.05 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.564 2.176 . . . . 0.0 112.597 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.2 m -55.51 -38.04 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.09 18.86 3.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.761 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.3 mt -58.27 -46.9 99.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 93.6 Cg_exo -43.73 -26.94 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.851 2.367 . . . . 0.0 113.475 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -54.1 -33.89 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.319 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.645 ' HE2' HD23 ' A' ' 56' ' ' LEU . 15.9 m-85 -67.08 -50.6 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.0 -26.09 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -48.9 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.63 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 8.9 mt -75.01 -35.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.22 -53.11 11.5 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 89.3 Cg_exo -41.09 -53.68 2.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.851 2.367 . . . . 0.0 113.417 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.831 HD12 HD12 ' B' ' 105' ' ' LEU . 0.4 OUTLIER -74.25 -24.95 59.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 62' ' ' ILE . 44.6 mt -67.3 132.98 93.25 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.8 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -39.73 137.63 1.07 Allowed 'Trans proline' 0 CA--C 1.51 -0.7 0 C-N-CA 122.887 2.391 . . . . 0.0 113.231 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.06 -42.87 50.68 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.663 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -44.21 70.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.095 0.474 . . . . 0.0 110.155 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 9.1 m170 -67.11 -25.5 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.457 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.82 -50.86 71.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.042 0.449 . . . . 0.0 109.935 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.07 -52.93 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.937 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -58.06 -34.43 70.11 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 59.1 t80 -61.57 -33.64 74.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -73.11 -36.5 66.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.279 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.83 -32.28 73.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.024 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.749 ' CE2' HG21 ' A' ' 5' ' ' VAL . 66.9 m-85 -72.83 -31.28 64.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.86 -52.27 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.702 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -63.41 -32.18 73.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.5 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.25 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 34' ' ' HIS . 62.7 mt -56.8 -55.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.189 0.519 . . . . 0.0 109.858 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.899 ' HA ' HD12 ' B' ' 115' ' ' ILE . 41.1 t80 -71.7 -34.71 69.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.374 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.61 -29.77 68.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.764 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.06 -36.04 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.636 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 112' ' ' TYR . 13.9 mt . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -67.86 -32.21 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.559 HG11 ' HD1' ' B' ' 104' ' ' TYR . 45.1 t -52.67 -39.78 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 0.0 110.095 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.9 67.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.81 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -39.64 87.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -49.51 40.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.874 ' O ' HG23 ' A' ' 13' ' ' VAL . 85.5 t80 -60.45 -43.27 97.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -71.5 -45.72 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.804 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.0 tmtp? -59.3 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.299 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.4 t -53.43 -37.41 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.725 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -72.89 -29.07 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -29.49 66.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.098 0.475 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -86.86 -52.19 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.359 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.6 mm -74.45 -56.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.629 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 64.81 4.23 2.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.369 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.4 t-20 -107.97 -172.23 2.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -48.02 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.99 85.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -46.92 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -64.61 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.745 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 29' ' ' VAL . 63.9 t80 -67.2 -47.23 71.54 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.681 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 58' ' ' LEU . 30.5 tp -57.29 -41.37 79.67 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' B' ' 112' ' ' TYR . 1.2 m-85 -61.18 -34.13 74.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.39 -33.42 67.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.376 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 25' ' ' TYR . 47.5 t -66.7 -49.29 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.77 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.17 -35.16 79.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.227 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.15 -45.56 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ptm -71.8 -28.93 63.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.566 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.606 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.2 t80 -67.59 -39.01 84.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.712 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.403 ' HB2' HD13 ' B' ' 109' ' ' ILE . 42.3 t-80 -66.21 -30.7 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.34 -62.07 1.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.512 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 4.3 t -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.78 32.21 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.652 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.601 ' OD2' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -100.69 101.56 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -64.85 -30.03 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.494 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -26.71 64.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.601 HG23 ' OD2' ' A' ' 38' ' ' ASP . 91.8 t -79.03 -47.96 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.2 pp -59.59 -38.38 81.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.6 t -63.75 -40.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.95 -53.2 48.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.755 . . . . 0.0 111.952 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.32 -45.42 91.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.231 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.821 ' CD2' HD12 ' A' ' 58' ' ' LEU . 10.3 mt -52.14 -36.27 50.94 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.422 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.5 mttm -68.0 -50.24 56.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.054 0.454 . . . . 0.0 110.395 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -54.84 -26.18 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 t -101.11 -28.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.799 ' O ' HG22 ' A' ' 50' ' ' ILE . 3.7 mp -110.2 27.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.458 0.647 . . . . 0.0 110.773 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 t-20 -48.96 -27.76 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 38.1 mt-10 -94.59 139.56 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 47.3 Cg_exo -56.14 -24.06 47.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.475 2.117 . . . . 0.0 112.482 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -56.93 -36.28 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' CB ' HG23 ' A' ' 50' ' ' ILE . 14.1 mtt-85 -87.96 12.03 14.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.637 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.7 mt -46.65 -49.37 46.77 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.3 Cg_exo -42.03 -28.18 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.781 2.32 . . . . 0.0 113.319 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.821 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.37 -35.4 73.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 111.28 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.69 -45.72 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 5.7 t0 -75.03 -26.36 59.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.57 -48.03 68.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 58' ' ' LEU . 12.9 mt -75.02 -34.67 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.991 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.9 ttm180 -42.97 -51.05 13.24 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -53.38 -53.32 6.83 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.272 1.981 . . . . 0.0 113.233 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.66 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.74 -7.37 51.84 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.375 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.677 HG13 HG22 ' A' ' 62' ' ' ILE . 20.1 mt -85.34 135.61 38.68 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.652 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 92.9 Cg_exo -41.6 137.06 2.79 Favored 'Trans proline' 0 CA--C 1.508 -0.788 0 C-N-CA 122.907 2.405 . . . . 0.0 112.97 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.11 -42.27 50.09 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 113.752 -1.567 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -71.83 -41.85 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.728 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.675 ' HB3' HG11 ' A' ' 39' ' ' VAL . 14.9 m170 -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.428 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.97 -50.43 73.41 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.045 0.45 . . . . 0.0 110.14 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.17 -54.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.87 -36.32 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.76 ' HA ' HD12 ' A' ' 77' ' ' LEU . 34.1 t80 -60.15 -33.67 72.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -35.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.138 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -65.82 -33.68 76.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 74' ' ' TYR . 2.3 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.559 ' HD1' HG11 ' A' ' 5' ' ' VAL . 55.6 m-85 -55.84 -49.77 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.05 -52.03 67.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -32.2 72.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -58.14 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.59 63.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.426 HD11 ' HG ' ' B' ' 105' ' ' LEU . 84.0 mt -58.05 -55.45 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.1 -33.56 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.421 ' O ' HG12 ' B' ' 115' ' ' ILE . 0.6 OUTLIER -55.06 -45.65 75.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.434 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -67.72 -36.16 80.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.61 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.63 -27.54 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -81.98 -37.68 26.28 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.683 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.421 HG12 ' O ' ' B' ' 111' ' ' GLU . 41.0 mm . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.796 0.331 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -71.39 -31.97 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.538 HG11 ' HD1' ' B' ' 104' ' ' TYR . 25.9 t -52.45 -34.65 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.37 66.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.639 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -36.66 81.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.02 -49.99 39.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 27.7 t80 -66.18 -34.68 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -43.77 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -68.47 -44.6 74.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -59.19 -58.0 10.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.339 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' PHE . 82.9 t -53.82 -37.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.497 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.39 -27.73 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.725 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.02 70.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -91.46 -51.04 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.943 -179.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.918 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.8 mp -70.2 -50.57 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.89 3.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.262 0.553 . . . . 0.0 112.424 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.918 ' H ' HG22 ' A' ' 17' ' ' ILE . 98.6 m-20 -113.48 141.5 47.04 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.705 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.29 -50.84 19.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.11 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.059 0.457 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB2' HG23 ' A' ' 17' ' ' ILE . 4.8 mm-40 -61.68 -46.81 88.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.7 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -62.88 -30.84 71.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.298 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.18 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 29' ' ' VAL . 55.7 t80 -67.2 -46.9 72.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.762 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 58' ' ' LEU . 6.8 tt -57.42 -42.01 81.51 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD2' ' CE2' ' B' ' 112' ' ' TYR . 1.1 m-85 -60.44 -34.34 73.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.24 -32.75 66.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.154 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 45' ' ' ASP . 90.5 t -62.18 -50.69 78.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD21 ' CZ ' ' A' ' 9' ' ' PHE . 1.3 mt -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.33 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -37.89 80.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.518 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.511 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -77.77 -34.19 52.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.351 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.598 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.1 t80 -60.56 -33.37 72.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.572 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -67.25 -34.66 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.23 -54.32 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 ' H ' ' A' ' 38' ' ' ASP . 12.2 t -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.85 40.53 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -128.57 111.07 12.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.9 t -57.67 -24.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.61 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.408 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 38' ' ' ASP . 97.6 t -78.8 -45.75 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.826 HD12 HD23 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -61.0 -41.24 96.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.192 179.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.9 t -64.76 -49.55 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.36 -43.11 57.58 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 29' ' ' VAL . 58.6 m-20 -65.96 -58.47 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.826 HD23 HD12 ' A' ' 42' ' ' LEU . 1.4 pp -58.49 -23.6 58.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.52 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -65.61 -50.96 63.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.4 -27.23 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.532 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG13 ' OE1' ' A' ' 22' ' ' GLU . 47.0 t -87.1 -25.65 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.128 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.801 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.0 mt -115.25 26.13 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.261 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.4 t-20 -45.01 -25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.2 149.52 36.32 Favored Pre-proline 0 C--N 1.334 -0.105 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.589 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.712 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.7 Cg_endo -66.74 -20.62 52.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.644 2.229 . . . . 0.0 112.87 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -34.77 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.296 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 50' ' ' ILE . 67.9 mtt85 -87.98 11.67 15.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.794 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD23 ' CE2' ' A' ' 59' ' ' PHE . 7.3 mt -50.94 -46.25 87.71 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.766 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.7 Cg_exo -31.9 -32.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.535 2.823 . . . . 0.0 115.028 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -54.69 -33.39 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.251 -0.28 . . . . 0.0 111.703 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CE2' HD23 ' A' ' 56' ' ' LEU . 59.3 m-85 -64.51 -50.92 65.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.738 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 4.0 t70 -75.27 -28.97 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 0.0 110.599 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.671 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.17 -50.38 54.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.926 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.028 HD11 HD23 ' A' ' 58' ' ' LEU . 8.0 mt -76.01 -35.72 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -47.97 -36.41 10.33 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.671 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 17.4 Cg_exo -68.18 -52.89 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.374 2.05 . . . . 0.0 112.922 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 HD22 ' B' ' 105' ' ' LEU . 1.7 pp -62.72 -33.58 75.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.051 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -66.04 145.04 99.0 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 63.1 Cg_exo -37.75 137.53 0.4 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 122.915 2.41 . . . . 0.0 113.413 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.9 mt -50.04 -31.95 14.23 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.546 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 15.8 m170 -71.9 -37.69 70.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.748 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.6 pt20 -60.33 -39.2 86.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.921 0.391 . . . . 0.0 110.114 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 68' ' ' LEU . 2.9 t -63.04 -57.2 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.71 -32.45 65.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' OH ' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -59.35 -36.73 76.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.34 64.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.605 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -65.89 -33.48 75.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.803 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 110.788 -179.707 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.538 ' HD1' HG11 ' A' ' 5' ' ' VAL . 50.7 m-85 -53.47 -51.79 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 109' ' ' ILE . 2.8 mm? -60.02 -52.2 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.935 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -32.31 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -61.98 -58.26 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.126 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -45.94 56.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.765 HD11 HD12 ' B' ' 105' ' ' LEU . 89.9 mt -56.48 -55.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -65.32 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.68 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' B' ' 115' ' ' ILE . 54.8 t80 -71.95 -33.82 68.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.611 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -31.66 70.25 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.13 -33.69 29.53 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.575 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' B' ' 112' ' ' TYR . 19.6 mt . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.896 0.379 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -32.22 54.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -52.58 -41.81 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.224 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HB2' ' OE1' ' B' ' 107' ' ' GLU . . . -72.8 -33.07 66.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.729 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -67.71 -39.38 84.37 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.3 -48.72 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.817 ' O ' HG23 ' A' ' 13' ' ' VAL . 73.8 t80 -64.79 -39.17 93.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -73.4 -43.2 61.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.852 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -67.18 -41.83 85.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.69 -57.03 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 110.446 179.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.6 t -53.39 -37.34 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.632 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.73 -28.17 63.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.587 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.59 -31.59 69.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.439 . . . . 0.0 110.418 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -89.63 -51.54 5.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.059 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 19' ' ' ASN . 6.5 mt -85.55 -59.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.493 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 32.2 tt0 67.55 3.7 3.49 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.046 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.692 ' HB2' HG22 ' A' ' 17' ' ' ILE . 85.6 m-20 -106.75 161.3 14.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.73 -39.57 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.25 -54.04 50.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.013 0.435 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.602 ' HB3' HD13 ' A' ' 17' ' ' ILE . 4.6 mt-10 -61.24 -45.81 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -30.99 71.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.143 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -52.41 64.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.892 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.9 t80 -67.15 -44.54 79.53 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.585 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 58' ' ' LEU . 20.7 tp -57.59 -41.74 81.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.4 m-85 -61.26 -32.38 72.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -35.5 71.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.885 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 42' ' ' LEU . 47.2 t -61.59 -48.45 88.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.376 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.29 -37.58 86.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.889 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -55.72 -41.8 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.267 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 36' ' ' THR . 49.8 mmm -64.83 -49.98 68.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.186 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 37' ' ' MET . 12.3 t80 -56.36 -23.05 34.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.612 ' HB2' HD13 ' B' ' 109' ' ' ILE . 57.5 t-80 -81.76 -46.13 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.52 -62.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.979 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 32' ' ' MET . 6.4 t -77.82 -38.25 46.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.904 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.36 51.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.4 t70 -114.78 109.62 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.001 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.818 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.8 t -62.0 -21.64 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.298 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -74.68 -29.41 61.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 38' ' ' ASP . 95.9 t -77.05 -38.46 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.616 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 29' ' ' VAL . 1.2 mt -65.42 -45.17 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -66.19 -41.88 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.78 -55.69 29.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.643 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' CB ' HG22 ' A' ' 29' ' ' VAL . 5.8 m-20 -61.47 -44.47 97.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.698 HD21 HD11 ' A' ' 62' ' ' ILE . 11.8 mt -50.52 -42.7 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.3 mttm -66.33 -49.52 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.609 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.8 -26.37 9.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.28 -28.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.28 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 50' ' ' ILE . 11.9 mt -101.43 23.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.19 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.5 m120 -46.49 -29.62 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.968 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 7.0 mm-40 -101.83 144.94 29.59 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 44.2 Cg_exo -56.46 -24.39 52.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.508 2.139 . . . . 0.0 112.617 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.2 p -58.39 -38.25 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.641 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.9 mtt180 -88.02 14.16 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.644 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.6 mt -53.23 -52.5 65.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.98 -27.73 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.475 2.783 . . . . 0.0 113.68 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.72 -33.37 55.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 111.224 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 50' ' ' ILE . 18.1 m-85 -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.4 OUTLIER -75.13 -21.85 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.642 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.18 -51.45 45.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.523 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 58' ' ' LEU . 8.7 mt -76.18 -35.92 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' CG ' ' HD3' ' A' ' 64' ' ' PRO . 11.3 ptt180 -46.34 -37.2 7.53 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.642 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 47.6 Cg_exo -58.01 -52.88 5.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.072 1.848 . . . . 0.0 112.482 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.898 HD12 HD22 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -72.11 -19.33 61.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 179.531 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 62' ' ' ILE . 42.0 mt -73.23 134.17 80.51 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.03 135.16 8.15 Favored 'Trans proline' 0 CA--C 1.509 -0.729 0 C-N-CA 122.766 2.311 . . . . 0.0 112.868 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 mt -50.26 -26.78 5.09 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.66 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -87.2 -34.23 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 35.3 m170 -73.53 -32.62 64.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.686 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 3.0 pt20 -65.27 -37.24 86.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.6 t -64.15 -59.59 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -58.57 -36.11 73.44 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 43' ' ' VAL . 64.0 t80 -57.14 -33.48 67.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -72.89 -42.19 63.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.919 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.78 -16.22 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 74' ' ' TYR . 14.0 mt . . . . . 0 C--N 1.332 -0.162 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.799 0.333 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.24 -36.07 76.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.898 HD22 HD12 ' A' ' 65' ' ' LEU . 3.8 mm? -60.11 -52.24 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -62.19 -32.18 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -59.06 -57.99 10.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.08 72.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 34' ' ' HIS . 60.9 mt -60.29 -55.47 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -65.72 -38.87 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.99 -40.06 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.736 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.9 -33.92 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.606 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.97 -32.37 69.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.781 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -82.03 -34.47 29.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.0 mt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.915 0.388 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.88 -31.68 70.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG11 ' HD1' ' B' ' 104' ' ' TYR . 39.5 t -52.16 -33.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.268 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.04 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.648 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -35.99 79.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.48 -50.0 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.487 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.854 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.5 t80 -59.48 -42.14 91.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -48.26 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.807 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -59.15 -43.29 92.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.56 -53.93 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.467 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 9' ' ' PHE . 45.3 t -53.38 -37.52 29.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -69.67 -29.04 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -32.65 71.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.07 0.462 . . . . 0.0 110.551 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 57' ' ' PRO . 3.8 mt -82.92 -51.29 7.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.195 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.546 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.5 mm -75.63 -55.81 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.5 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 64.38 4.22 2.12 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.445 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.5 t30 -105.82 174.39 5.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.25 -52.49 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.04 74.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mm-40 -65.24 -46.84 78.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.688 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -61.54 -32.67 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.318 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -62.28 -51.58 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.5 t80 -67.18 -43.14 82.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.038 HD11 HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.46 -46.61 83.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE2' ' CD1' ' B' ' 112' ' ' TYR . 0.3 OUTLIER -60.01 -31.35 69.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -72.46 -33.24 66.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 45' ' ' ASP . 55.7 t -66.26 -49.36 76.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.568 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.36 -37.05 85.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -45.85 87.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.315 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -64.54 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.168 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -63.05 -34.66 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' B' ' 109' ' ' ILE . 39.4 t-80 -75.02 -30.39 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.22 -62.21 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.47 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 4.7 t -72.64 -26.39 61.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.522 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.74 33.36 12.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 0.0 110.658 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 36' ' ' THR . 17.8 t0 -113.62 113.26 24.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.859 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.7 t -65.89 -22.85 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.59 -27.01 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.972 0.415 . . . . 0.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.4 t -78.38 -43.44 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -63.52 -39.64 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.5 t -67.21 -40.9 86.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.3 -52.45 49.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.141 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HG22 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -65.53 -47.25 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.508 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 50' ' ' ILE . 9.6 mt -50.56 -44.39 56.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HD3' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -62.76 -50.44 71.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.592 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.87 -26.69 10.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.456 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.28 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.163 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.823 HD11 HD22 ' A' ' 46' ' ' LEU . 7.1 mt -101.9 22.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.95 -30.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.57 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 56' ' ' LEU . 25.3 Cg_exo -62.82 -24.96 74.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.654 2.236 . . . . 0.0 112.625 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -38.41 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.606 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.559 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.95 15.13 7.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.947 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.8 mt -56.99 -45.86 99.92 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 16' ' ' LEU . 91.8 Cg_exo -43.8 -26.92 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.818 2.346 . . . . 0.0 113.515 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 26' ' ' LEU . 3.2 mt -56.85 -41.3 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 111.263 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -61.3 -50.87 71.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -75.19 -26.66 59.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.92 -50.04 58.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.629 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 58' ' ' LEU . 16.8 mt -75.12 -35.44 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 66' ' ' ILE . 5.4 ttt85 -42.93 -51.02 13.15 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 91.4 Cg_exo -41.18 -54.19 2.69 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.554 2.169 . . . . 0.0 113.622 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 ' HG ' ' B' ' 105' ' ' LEU . 0.3 OUTLIER -74.58 -30.48 61.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 63' ' ' ARG . 94.7 mt -56.59 135.04 77.62 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 84.6 Cg_exo -45.09 140.63 7.25 Favored 'Trans proline' 0 CA--C 1.508 -0.791 0 C-N-CA 122.82 2.347 . . . . 0.0 113.026 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.13 -46.3 53.74 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.622 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.83 70.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.214 0.531 . . . . 0.0 109.876 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 23.1 m170 -68.32 -29.29 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.143 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.26 -53.48 57.76 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.053 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.48 -53.25 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.061 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -57.33 -33.98 68.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.694 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.7 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.7 t80 -60.57 -33.64 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.92 -41.69 64.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.333 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.44 -22.32 66.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.677 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.684 0.278 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HD1' HG11 ' A' ' 5' ' ' VAL . 97.2 m-85 -72.69 -33.82 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.83 ' HG ' HD12 ' A' ' 65' ' ' LEU . 3.5 mt -59.44 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -58.92 -35.19 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.61 -58.04 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 34' ' ' HIS . 57.5 mt -57.08 -55.43 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -35.6 79.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.552 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -42.65 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.154 0.502 . . . . 0.0 109.782 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.838 ' HA ' HD12 ' B' ' 115' ' ' ILE . 70.1 t80 -70.6 -33.99 71.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.592 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.93 -30.33 68.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.735 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.06 -35.42 28.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.684 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.8 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -63.24 -32.0 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' B' ' 104' ' ' TYR . 28.6 t -52.24 -35.61 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.25 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.668 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -67.7 -38.49 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.47 -50.06 42.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.884 ' O ' HG23 ' A' ' 13' ' ' VAL . 80.0 t80 -63.47 -41.21 98.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.147 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -44.22 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.73 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 7.7 m170 -59.74 -45.41 92.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.751 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.22 -47.06 86.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.936 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 9' ' ' PHE . 59.1 t -53.73 -49.87 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.172 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.2 p30 -72.98 -17.42 61.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.76 -37.89 76.56 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.29 0.566 . . . . 0.0 109.957 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -93.53 -46.89 7.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.004 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.946 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.5 mp -68.57 -52.6 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 56.05 3.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.248 0.547 . . . . 0.0 112.03 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.946 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.9 t30 -110.67 -165.74 1.02 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.28 -47.25 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.74 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -64.6 -46.93 80.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.844 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HG3' HG12 ' A' ' 13' ' ' VAL . 3.3 mtmt -62.47 -33.53 75.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.256 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -47.91 82.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 109.957 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.3 t80 -67.1 -49.04 66.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.839 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.4 -41.58 80.56 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' B' ' 112' ' ' TYR . 3.6 m-85 -61.02 -34.28 74.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -32.77 66.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' TYR . 75.0 t -62.91 -54.31 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.589 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 44.8 mt -60.42 -39.29 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.179 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -60.34 -41.72 94.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.306 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.886 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ttp -72.64 -38.86 67.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.307 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CD2' HD22 ' A' ' 42' ' ' LEU . 8.2 t80 -62.33 -25.18 67.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.733 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -80.41 -35.84 34.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.487 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' O ' ' A' ' 32' ' ' MET . 8.8 t -70.92 -30.41 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.458 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.7 38.83 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.716 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.8 m-20 -109.08 110.77 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 t -73.27 -25.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 77' ' ' LEU . . . -72.99 -25.87 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.98 -46.1 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.5 pp -61.95 -40.16 94.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.549 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.9 t -62.26 -43.98 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -51.73 56.41 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.131 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 48' ' ' LEU . 44.2 m-20 -61.74 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.939 HD11 HD13 ' A' ' 62' ' ' ILE . 10.5 mt -51.03 -42.52 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.9 mtpp -66.53 -49.17 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 45' ' ' ASP . 20.7 mt -51.84 -26.69 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.3 t -99.07 -27.57 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.372 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 50' ' ' ILE . 14.8 mt -102.83 23.42 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.0 m120 -47.45 -28.96 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -97.3 154.16 38.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.5 Cg_endo -67.35 -20.1 49.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.615 2.21 . . . . 0.0 112.87 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.312 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.94 10.54 18.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.729 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 53' ' ' PRO . 5.4 mt -52.04 -46.7 93.0 Favored Pre-proline 0 CA--C 1.533 0.317 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -43.58 -25.36 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.775 2.317 . . . . 0.0 113.732 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 62' ' ' ILE . 2.3 mt -56.08 -50.04 72.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 111.326 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.632 ' CE2' HG21 ' A' ' 50' ' ' ILE . 35.3 m-85 -54.8 -50.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -74.02 -28.57 61.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.529 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.6 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.376 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 46' ' ' LEU . 3.7 mt -74.89 -35.5 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.374 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.33 -53.06 11.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 88.1 Cg_exo -41.14 -53.75 2.87 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.674 2.25 . . . . 0.0 113.366 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.27 -24.71 59.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 62' ' ' ILE . 85.0 mt -67.99 128.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.4 140.54 8.32 Favored 'Trans proline' 0 CA--C 1.508 -0.804 0 C-N-CA 122.863 2.375 . . . . 0.0 113.105 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.16 -43.34 52.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.28 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -71.11 -41.66 70.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.298 0.57 . . . . 0.0 109.684 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.0 m170 -64.38 -29.01 70.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.239 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.65 -45.12 95.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.991 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -61.35 -54.68 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.845 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.78 -34.27 71.26 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.617 ' HE2' HD11 ' A' ' 42' ' ' LEU . 5.3 t80 -59.44 -33.63 71.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -42.48 62.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -66.31 -27.28 67.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.452 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 40' ' ' ALA . 5.9 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.892 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.494 ' CD1' HG11 ' A' ' 5' ' ' VAL . 17.9 m-85 -60.0 -36.54 77.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.82 HD23 HD11 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -57.15 -52.16 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.671 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -60.18 -32.03 70.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.64 -58.09 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.39 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 110.903 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.82 HD11 HD23 ' B' ' 105' ' ' LEU . 82.8 mt -56.45 -54.58 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -34.34 77.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.47 -45.44 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 109.76 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 115' ' ' ILE . 44.1 t80 -69.28 -33.86 73.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.642 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.92 -30.31 68.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.805 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -34.89 29.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.874 HD12 ' HA ' ' B' ' 112' ' ' TYR . 33.3 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -71.0 -31.92 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.605 HG21 ' HE1' ' B' ' 104' ' ' TYR . 45.7 t -52.45 -35.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.974 0.416 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.72 -39.18 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.595 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -67.71 -39.18 84.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.3 -49.04 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.343 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.904 ' O ' HG23 ' A' ' 13' ' ' VAL . 78.7 t80 -62.22 -39.71 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -49.83 47.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.672 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 4.0 t-160 -59.79 -40.87 89.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.41 -46.53 88.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.117 179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -53.49 -51.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.1 p30 -73.21 -16.68 61.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -36.77 76.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.263 0.554 . . . . 0.0 110.095 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -93.42 -51.13 5.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.888 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.995 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.1 mp -65.85 -52.95 43.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.46 3.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 111.806 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.995 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t30 -107.18 -165.18 1.04 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -124.06 -51.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.32 74.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HB2' HG23 ' A' ' 17' ' ' ILE . 42.0 mt-10 -69.18 -46.79 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.18 -33.51 75.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -62.42 -47.9 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.727 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 t80 -67.16 -47.92 69.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.889 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 58' ' ' LEU . 2.2 tt -57.29 -42.5 81.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 0.8 OUTLIER -60.79 -34.36 74.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.64 -32.28 65.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.423 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.4 t -64.29 -54.31 32.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -69.82 -38.58 76.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.678 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.876 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -76.25 -37.46 57.6 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.604 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.1 t80 -63.99 -32.4 73.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' B' ' 109' ' ' ILE . 64.4 t-80 -64.03 -39.76 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -62.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 32' ' ' MET . 9.9 t -65.79 -28.56 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.553 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 17.0 mmt 61.51 32.28 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 2.2 t70 -102.38 111.67 24.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.4 t -73.98 -24.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.216 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.85 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.97 -48.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 33' ' ' TYR . 2.3 pp -61.58 -38.25 86.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 39' ' ' VAL . 99.0 t -61.55 -41.41 90.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.438 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.62 55.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.205 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 48' ' ' LEU . 47.8 m-20 -60.67 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.853 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.855 ' O ' HD12 ' A' ' 50' ' ' ILE . 10.1 mt -50.45 -42.73 54.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.585 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.91 -50.48 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 0.0 110.57 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.9 mt -52.55 -26.74 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.33 -27.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 46' ' ' LEU . 2.7 mp -109.99 27.44 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.447 0.642 . . . . 0.0 111.004 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -50.33 -26.24 4.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -95.63 155.98 37.96 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.621 ' O ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_endo -69.71 -21.86 33.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.679 2.253 . . . . 0.0 112.764 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -60.57 -36.64 78.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -87.99 10.48 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.624 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 53' ' ' PRO . 4.0 mt -44.68 -56.76 7.89 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.793 ' HG2' HD22 ' A' ' 16' ' ' LEU . 5.7 Cg_exo -38.26 -30.45 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.388 2.725 . . . . 0.0 113.348 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.777 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -56.63 -33.3 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.642 0.258 . . . . 0.0 111.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.69 -50.68 28.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 11.2 t0 -73.58 -22.1 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.06 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.525 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 58' ' ' LEU . 27.0 mt -75.15 -35.31 34.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 4.7 mtp180 -42.89 -51.91 11.99 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 85.4 Cg_exo -41.07 -53.75 2.83 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.806 2.337 . . . . 0.0 113.594 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -74.49 -26.22 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 62' ' ' ILE . 51.2 mt -64.92 134.37 96.04 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.786 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 82.3 Cg_exo -44.34 138.34 7.34 Favored 'Trans proline' 0 CA--C 1.509 -0.738 0 C-N-CA 122.736 2.291 . . . . 0.0 113.118 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.26 -37.93 38.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.343 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -73.11 -45.06 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 0.0 109.718 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.3 m170 -64.6 -24.83 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.18 -50.18 72.83 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.002 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.75 -53.96 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.103 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.64 -35.89 71.12 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.738 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.589 ' CD2' HG22 ' A' ' 43' ' ' VAL . 62.8 t80 -60.32 -33.74 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.24 -34.86 66.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.266 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -65.77 -34.61 78.58 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.781 0.325 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.605 ' HE1' HG21 ' A' ' 5' ' ' VAL . 9.0 m-85 -68.25 -31.35 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.42 ' CD2' HD12 ' A' ' 65' ' ' LEU . 10.3 mt -57.85 -52.2 66.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' B' ' 110' ' ' GLN . 2.0 ptt180 -62.34 -32.25 73.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' B' ' 106' ' ' ARG . 13.2 mt-10 -57.95 -58.14 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.57 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 34' ' ' HIS . 71.2 mt -57.17 -55.36 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 106' ' ' ARG . 0.7 OUTLIER -63.38 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.591 ' OE2' HD11 ' B' ' 115' ' ' ILE . 0.0 OUTLIER -52.19 -43.95 64.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.059 0.457 . . . . 0.0 109.909 179.328 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.83 ' HA ' HD12 ' B' ' 115' ' ' ILE . 57.5 t80 -70.2 -34.0 72.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.656 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -59.98 -31.23 69.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.819 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -81.99 -33.64 30.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.749 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' B' ' 112' ' ' TYR . 10.6 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.55 -31.87 67.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -52.18 -33.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.1 64.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.714 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -41.42 82.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.307 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -42.26 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.737 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 13' ' ' VAL . 50.0 t80 -64.58 -44.07 91.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.178 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -72.42 -45.99 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.805 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -63.88 -39.55 94.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.46 -54.73 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.36 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.3 t -53.35 -38.73 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.65 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.2 -26.18 61.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.59 -32.42 71.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.039 0.447 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -88.32 -50.9 6.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.057 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.913 HG22 ' H ' ' A' ' 19' ' ' ASN . 5.1 mp -86.46 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 66.3 3.66 2.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.649 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.913 ' H ' HG22 ' A' ' 17' ' ' ILE . 10.6 t30 -94.84 168.2 10.95 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.838 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.17 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -39.63 63.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.3 mm-40 -68.94 -46.96 66.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 ttmt -65.19 -33.12 75.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.17 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -46.69 87.38 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 63.6 t80 -67.41 -48.85 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.772 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.718 HD21 HD21 ' A' ' 58' ' ' LEU . 30.3 tp -57.2 -42.36 81.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.0 OUTLIER -61.14 -33.03 72.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.14 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -72.4 -33.17 66.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 42' ' ' LEU . 95.4 t -63.06 -54.31 35.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.707 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.61 -40.45 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.374 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.69 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.436 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.829 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -76.68 -32.64 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.7 t80 -66.98 -26.4 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HB2' HD13 ' B' ' 109' ' ' ILE . 44.2 t-80 -80.69 -31.12 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -62.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.485 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 32' ' ' MET . 4.4 t -76.05 -22.5 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 7.2 mmt 62.27 38.54 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.674 ' HB3' HG23 ' A' ' 41' ' ' VAL . 4.2 m-20 -105.29 112.23 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.1 t -76.89 -24.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -27.25 60.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.3 t -78.87 -42.17 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.962 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.1 pp -65.56 -39.25 91.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.7 t -64.49 -43.29 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.491 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.6 -52.61 50.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.07 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 3.2 m-20 -60.81 -44.61 96.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.413 . . . . 0.0 110.491 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.57 -39.63 50.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mptm? -68.47 -49.67 58.13 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.91 -26.73 10.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.16 -27.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 46' ' ' LEU . 23.3 mt -104.1 25.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 4.2 m-20 -49.51 -27.34 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.872 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.99 144.8 29.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.784 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.4 Cg_exo -57.35 -25.1 63.79 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 112.643 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t -56.67 -38.49 72.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.381 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.01 14.22 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.766 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.4 mt -51.34 -54.83 34.42 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.755 ' HG2' HD22 ' A' ' 16' ' ' LEU . 6.3 Cg_exo -35.45 -31.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.583 2.855 . . . . 0.0 113.766 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.066 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -54.0 -43.03 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 111.363 -179.742 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 50' ' ' ILE . 16.5 m-85 -60.62 -50.71 72.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.317 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -74.88 -26.63 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.852 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.64 -48.34 66.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.484 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.066 HD11 HD22 ' A' ' 58' ' ' LEU . 9.8 mt -74.89 -35.01 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.123 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.563 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.6 ttm180 -43.05 -52.48 11.78 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.0 Cg_endo -51.98 -53.11 7.54 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.322 2.015 . . . . 0.0 113.073 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.56 -8.72 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.294 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 62' ' ' ILE . 10.9 mt -84.45 133.57 44.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.751 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 1.7 Cg_endo -45.08 138.42 9.17 Favored 'Trans proline' 0 CA--C 1.508 -0.775 0 C-N-CA 122.948 2.432 . . . . 0.0 112.62 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.3 mt -49.92 -45.72 51.28 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.733 -1.576 . . . . 0.0 111.55 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -56.32 20.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.11 0.481 . . . . 0.0 110.143 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.6 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 m170 -62.32 -23.19 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.606 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.06 -49.58 73.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.067 0.46 . . . . 0.0 109.914 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.45 -53.86 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.978 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.33 -35.48 71.95 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 43' ' ' VAL . 19.3 t80 -60.54 -33.66 72.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -33.22 65.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.364 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.69 -34.39 78.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -72.88 -53.58 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.773 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.81 HD12 HD11 ' B' ' 109' ' ' ILE . 2.9 mm? -57.11 -51.98 67.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.53 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.55 -58.08 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.56 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.81 HD11 HD12 ' B' ' 105' ' ' LEU . 82.0 mt -58.73 -55.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.741 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.5 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.39 -34.37 67.85 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.662 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.53 -32.04 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.1 0.476 . . . . 0.0 109.792 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -82.06 -34.2 29.55 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.863 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 111.003 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.718 0.294 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.054 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.441 ' CG1' ' CD2' ' B' ' 104' ' ' TYR . 39.2 t -52.66 -38.34 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.423 . . . . 0.0 110.135 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.8 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.833 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -38.8 84.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -71.95 -49.5 36.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 13' ' ' VAL . 43.2 t80 -61.98 -39.52 92.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.385 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -73.35 -46.5 48.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -62.04 -42.96 99.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.724 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.77 -56.69 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.29 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 9' ' ' PHE . 49.2 t -53.44 -37.21 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.7 -28.22 62.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -69.6 -32.84 71.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.837 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.5 mt -89.63 -43.25 10.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.935 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.015 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.3 mp -92.69 -64.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.0 1.77 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.606 0.717 . . . . 0.0 111.067 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 1.015 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -90.15 -167.79 1.94 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.771 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.17 -55.58 1.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.13 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 111.235 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.49 -44.49 86.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -34.37 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.21 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.54 -50.61 71.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.009 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.7 t80 -67.27 -46.5 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.872 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.6 tt -57.4 -41.9 81.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.03 -33.87 73.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.43 -33.33 67.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.224 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.5 t -64.18 -54.47 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.778 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.44 -39.33 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.07 0.462 . . . . 0.0 110.249 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -40.06 76.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.596 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 mtp -73.22 -43.89 60.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.612 ' CE1' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.72 -18.26 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.984 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.637 ' HB2' HD13 ' B' ' 109' ' ' ILE . 58.5 t-80 -85.25 -40.46 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' MET . 1.5 t -76.85 -28.41 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.736 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 69.37 41.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.001 0.429 . . . . 0.0 110.756 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 41' ' ' VAL . 27.2 p30 -102.19 112.58 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.4 t -81.72 -23.36 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.69 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' OD2' ' A' ' 38' ' ' ASP . 77.2 t -79.05 -42.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.556 HD12 ' C ' ' A' ' 42' ' ' LEU . 1.2 pp -63.5 -40.66 97.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.588 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 39' ' ' VAL . 86.8 t -60.75 -43.42 95.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.915 0.388 . . . . 0.0 110.352 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.55 -47.08 92.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.096 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 50.4 m-20 -61.89 -49.7 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.529 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 62' ' ' ILE . 9.6 mt -50.46 -38.06 41.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' ASN . 3.7 mttp -67.51 -49.7 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.229 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.22 -26.88 12.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.532 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.25 -27.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.751 HD11 HD22 ' A' ' 46' ' ' LEU . 16.2 mt -104.99 25.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.374 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -47.5 -29.0 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.907 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -98.9 153.18 37.95 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.2 Cg_endo -66.34 -20.11 55.38 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.859 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -37.89 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.89 12.31 13.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.676 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.9 mt -51.45 -53.73 46.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -38.52 -28.22 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.449 2.766 . . . . 0.0 113.737 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.797 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.82 -53.16 56.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.605 0.24 . . . . 0.0 111.068 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 50' ' ' ILE . 37.6 m-85 -50.93 -42.48 59.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.474 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -71.56 -29.31 64.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.138 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.17 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.384 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.821 HG13 HD11 ' A' ' 46' ' ' LEU . 1.1 mm -75.23 -35.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.056 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.2 OUTLIER -43.71 -54.11 11.17 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 82.4 Cg_exo -44.46 -54.08 4.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.742 2.295 . . . . 0.0 113.668 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -74.53 -26.38 59.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.149 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.72 133.03 94.07 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.36 139.9 35.69 Favored 'Trans proline' 0 CA--C 1.506 -0.899 0 C-N-CA 122.778 2.319 . . . . 0.0 112.74 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.1 mt -50.22 -37.85 37.41 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.255 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -73.18 -45.03 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.293 0.568 . . . . 0.0 109.695 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.142 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.12 -43.1 99.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.919 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.2 t -63.0 -58.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.038 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.4 -35.04 69.52 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' HG22 ' A' ' 43' ' ' VAL . 58.2 t80 -59.72 -33.56 71.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -33.03 65.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.145 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -65.39 -34.25 77.87 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.441 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 2.5 m-85 -56.46 -38.02 71.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.068 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.857 HD12 HD11 ' B' ' 109' ' ' ILE . 3.0 mm? -59.85 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -64.16 -32.09 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.986 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -58.43 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.857 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.75 61.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.857 HD11 HD12 ' B' ' 105' ' ' LEU . 71.3 mt -56.41 -51.37 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -64.25 -37.13 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.478 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.55 -41.46 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.36 -34.43 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.736 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -59.98 -31.0 69.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.734 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 112' ' ' TYR . 51.6 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.842 0.353 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -57.0 -31.95 65.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.573 HG11 ' HD1' ' B' ' 104' ' ' TYR . 38.3 t -52.41 -38.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.422 . . . . 0.0 110.192 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.56 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.644 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -36.06 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.96 -50.17 37.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.863 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.5 t80 -65.6 -36.26 83.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.175 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -72.56 -44.37 62.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.861 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.5 -44.42 96.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmmm -59.21 -53.72 55.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 9' ' ' PHE . 52.5 t -53.16 -37.29 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.83 -28.77 64.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.59 -32.67 71.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.099 0.476 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -89.44 -50.09 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.052 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB2' ' A' ' 19' ' ' ASN . 10.6 mm -85.37 -61.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.526 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 67.43 3.8 3.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.422 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.809 ' HB2' HG22 ' A' ' 17' ' ' ILE . 2.5 m-20 -102.08 166.83 10.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.983 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -100.72 -47.49 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.07 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -62.06 -45.9 91.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.658 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -61.46 -52.42 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.034 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.26 -44.74 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.735 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 HG11 ' A' ' 13' ' ' VAL . 18.0 tp -57.36 -42.95 83.04 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.7 m-85 -61.17 -32.22 71.95 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.36 -33.08 67.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.221 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' TYR . 55.9 t -64.96 -54.35 30.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.732 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.91 -37.45 82.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.329 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -64.75 -44.2 90.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.893 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -68.15 -37.31 80.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.542 ' OH ' HG22 ' A' ' 39' ' ' VAL . 9.3 t80 -61.08 -37.47 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.616 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HB2' HD13 ' B' ' 109' ' ' ILE . 20.9 t-80 -71.05 -31.31 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -62.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.341 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 32' ' ' MET . 4.6 t -71.89 -26.56 62.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.543 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.18 37.17 9.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.765 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -112.7 111.13 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.995 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 t -68.01 -24.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -24.32 59.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.687 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' HB3' ' A' ' 38' ' ' ASP . 61.5 t -78.95 -43.03 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 42' ' ' LEU . 1.4 pp -66.45 -39.46 88.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 39' ' ' VAL . 55.4 t -65.87 -41.73 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.01 -51.97 56.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.072 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.62 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.529 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 50' ' ' ILE . 9.3 mt -51.32 -41.76 60.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' ASN . 18.0 mttt -66.14 -50.32 64.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.8 -26.77 10.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.45 -27.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.255 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.746 HD11 HD22 ' A' ' 46' ' ' LEU . 18.8 mt -101.94 22.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.236 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' LYS . 23.8 p30 -46.12 -29.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.104 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.22 142.64 24.97 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 46.8 Cg_exo -56.23 -26.16 59.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.563 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -59.92 -33.12 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.315 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.6 ' C ' HG23 ' A' ' 50' ' ' ILE . 4.2 mtt85 -87.89 12.03 14.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.676 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 10.5 mt -53.06 -54.68 41.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.99 -27.77 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.42 2.747 . . . . 0.0 113.745 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.75 -33.53 56.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.625 0.25 . . . . 0.0 111.444 -179.659 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 50' ' ' ILE . 20.3 m-85 -68.69 -50.86 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 1.3 t70 -73.34 -23.55 60.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.512 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.78 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.529 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 58' ' ' LEU . 13.1 mt -75.3 -35.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -43.12 -52.59 11.87 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 91.0 Cg_exo -41.16 -53.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.797 2.331 . . . . 0.0 113.44 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -74.18 -25.73 59.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 HG22 ' A' ' 62' ' ' ILE . 60.0 mt -65.91 128.28 93.71 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.752 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.1 Cg_endo -47.98 161.55 0.35 Allowed 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.693 2.262 . . . . 0.0 112.741 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -28.09 66.48 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 113.781 -1.554 . . . . 0.0 111.968 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -78.98 -47.83 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.076 0.465 . . . . 0.0 110.052 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 54.2 m170 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.22 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -61.23 -49.47 77.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 110.129 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.84 -53.32 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -33.85 70.11 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 43' ' ' VAL . 89.5 t80 -62.34 -34.25 76.29 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.15 -35.99 66.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.03 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.85 -31.79 72.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.791 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.795 0.331 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.573 ' HD1' HG11 ' A' ' 5' ' ' VAL . 24.3 m-85 -53.76 -52.56 59.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.119 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -58.56 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.787 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -59.89 -34.02 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.12 -58.19 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.22 73.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.603 HD11 HD23 ' B' ' 105' ' ' LEU . 68.5 mt -56.56 -55.44 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.34 -35.15 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.0 -43.03 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.073 0.463 . . . . 0.0 109.808 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.855 ' HA ' HD12 ' B' ' 115' ' ' ILE . 4.7 t80 -70.12 -35.56 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.63 -29.05 67.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.72 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -81.9 -36.35 28.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.798 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' B' ' 112' ' ' TYR . 46.7 mt . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.11 70.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.51 -35.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.253 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.75 -36.3 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.823 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -36.31 80.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.97 -49.15 39.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.284 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 51.0 t80 -63.17 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.086 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -73.17 -50.01 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 6.6 t-160 -60.89 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.3 mmtp -59.27 -57.96 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 55.9 t -53.62 -37.56 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -72.95 -28.79 62.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' NE2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -69.7 -30.61 68.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 110.618 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -93.25 -49.23 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.302 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.014 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.2 mp -73.79 -51.56 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 55.96 3.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 0.0 111.95 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 1.014 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.8 m120 -110.45 159.33 17.59 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.818 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.2 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.12 88.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.3 -46.82 78.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.694 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -62.3 -31.95 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.236 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -51.05 69.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.887 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 29' ' ' VAL . 72.1 t80 -67.19 -45.71 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.577 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 HG11 ' A' ' 13' ' ' VAL . 43.9 tp -57.48 -41.69 81.18 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' CD2' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.33 -33.54 73.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.22 -33.17 67.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 ' CG1' HD23 ' A' ' 42' ' ' LEU . 99.8 t -62.11 -51.81 67.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.484 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.35 -40.56 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.532 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.97 -37.55 88.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.99 -47.09 54.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.787 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.857 ' CG ' HD12 ' A' ' 42' ' ' LEU . 14.0 t80 -56.15 -42.13 76.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -69.46 -30.18 68.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.983 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -77.99 -57.81 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.985 0.422 . . . . 0.0 111.372 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 32' ' ' MET . 2.7 t -77.59 -22.83 50.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.445 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 12.5 mmt 61.02 47.95 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.708 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.6 t0 -124.66 113.74 18.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.849 ' O ' HG23 ' A' ' 43' ' ' VAL . 40.8 t -65.51 -23.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.963 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.58 -23.99 62.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.197 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ASP . 67.2 t -75.85 -54.12 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.514 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.857 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -55.23 -41.07 71.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.634 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 39' ' ' VAL . 43.2 t -65.35 -49.22 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.33 46.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 29' ' ' VAL . 13.5 m-20 -62.1 -42.62 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.327 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -51.95 -42.43 62.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ASN . 27.0 mmtt -66.02 -50.52 63.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.381 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 45' ' ' ASP . 42.1 mt -51.83 -26.03 9.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.675 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -99.3 -27.73 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.743 HD11 HD22 ' A' ' 46' ' ' LEU . 17.3 mt -104.31 25.11 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -47.03 -28.84 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.932 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -97.7 152.49 38.17 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.1 Cg_endo -67.16 -18.87 51.21 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.775 2.317 . . . . 0.0 112.808 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -66.83 -38.85 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.247 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.639 ' C ' HG23 ' A' ' 50' ' ' ILE . 7.1 mtt180 -87.83 9.8 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.714 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.692 HD23 ' HE2' ' A' ' 59' ' ' PHE . 6.7 mt -53.3 -45.76 98.24 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 81.8 Cg_exo -43.05 -24.74 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.764 2.31 . . . . 0.0 113.639 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.985 HD22 HD11 ' A' ' 62' ' ' ILE . 3.6 mt -53.89 -44.93 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.368 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HE2' HD23 ' A' ' 56' ' ' LEU . 34.1 m-85 -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.367 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 9.7 t70 -74.86 -28.56 60.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.66 69.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.622 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.985 HD11 HD22 ' A' ' 58' ' ' LEU . 12.1 mt -74.92 -35.66 36.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -43.84 -54.06 11.58 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -178.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.457 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.2 Cg_exo -43.98 -53.11 4.89 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.131 2.554 . . . . 0.0 113.964 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -73.33 -7.0 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -86.16 141.97 35.55 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.954 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.62 137.6 1.62 Allowed 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 122.895 2.397 . . . . 0.0 113.233 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.11 -25.02 3.08 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.732 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -88.64 -34.99 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 51.4 m170 -75.34 -31.17 60.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.934 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' NE2' HD23 ' A' ' 68' ' ' LEU . 3.9 pt20 -63.85 -40.99 97.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.053 0.454 . . . . 0.0 109.808 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.5 t -65.56 -57.71 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.971 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -58.17 -34.65 70.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.7 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 10.0 t80 -61.24 -33.79 74.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.05 -34.15 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.094 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -65.89 -31.69 72.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.593 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.02 -48.89 72.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -57.13 -52.15 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.747 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -57.04 -32.27 66.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -58.1 9.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.17 83.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.12 -55.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.578 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.07 -33.32 75.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.39 -43.84 71.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 109.934 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.637 ' HA ' HD12 ' B' ' 115' ' ' ILE . 13.6 t80 -72.26 -34.32 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.616 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.92 -31.63 71.15 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.08 -32.32 30.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.836 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.9 mt . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.98 -32.06 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.57 HG11 ' HD1' ' B' ' 104' ' ' TYR . 41.0 t -52.49 -37.13 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.136 0.493 . . . . 0.0 110.217 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.88 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.8 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -39.54 84.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.82 -47.02 56.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.8 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.7 t80 -66.79 -35.65 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.24 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -74.39 -45.5 46.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.665 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -65.77 -42.61 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.784 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.8 mmtm -59.35 -57.6 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 9' ' ' PHE . 58.5 t -53.4 -37.26 28.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.811 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.56 -31.79 70.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.138 0.494 . . . . 0.0 110.633 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -93.26 -34.93 13.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.054 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.912 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.9 mp -95.47 -67.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.969 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.6 3.41 1.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.335 0.588 . . . . 0.0 112.023 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.912 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 m120 -108.03 126.51 52.81 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.667 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.95 -46.01 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.92 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HB2' HG23 ' A' ' 17' ' ' ILE . 12.9 mt-10 -64.5 -45.36 87.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.478 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.22 -31.93 73.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.091 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.99 -51.71 66.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.018 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 t80 -67.22 -46.35 74.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 26' ' ' LEU . 2.0 tt -57.43 -41.19 79.97 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.5 m-85 -60.5 -34.18 73.69 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.4 -32.84 66.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.304 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 25' ' ' TYR . 61.4 t -65.62 -54.44 28.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.25 -37.42 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.322 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -44.71 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.879 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.12 -40.95 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.436 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.63 -38.54 78.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' HB2' HD13 ' B' ' 109' ' ' ILE . 18.6 t60 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -56.22 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 32' ' ' MET . 2.1 t -77.57 -26.98 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.296 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.9 40.0 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.7 t70 -117.77 112.44 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 t -68.16 -23.35 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 38' ' ' ASP . 88.4 t -78.58 -45.7 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.1 pp -63.42 -39.2 93.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.2 t -64.74 -42.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -52.69 50.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.992 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.95 -43.17 99.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.753 HD22 HD11 ' A' ' 50' ' ' ILE . 10.2 mt -52.25 -36.82 53.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.408 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -69.19 -50.41 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.123 0.487 . . . . 0.0 110.244 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -26.57 11.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.722 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 t -100.46 -28.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.753 HD11 HD22 ' A' ' 46' ' ' LEU . 31.6 mt -104.48 25.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.8 p-10 -48.11 -28.11 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.001 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.84 152.02 37.88 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.524 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.6 Cg_endo -66.64 -18.86 54.14 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.731 2.287 . . . . 0.0 112.752 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 m -64.53 -37.78 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' HG23 ' A' ' 50' ' ' ILE . 26.3 mtt180 -88.05 11.65 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.635 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 53' ' ' PRO . 6.2 mt -53.57 -45.85 98.45 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.7 Cg_exo -41.95 -28.27 0.76 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.695 2.263 . . . . 0.0 113.482 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.893 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -55.35 -42.51 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -60.77 -46.93 88.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.052 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -75.08 -29.39 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.795 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.5 66.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.663 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.893 HD11 HD22 ' A' ' 58' ' ' LEU . 14.4 mt -74.61 -34.74 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.117 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.65 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.04 -54.06 9.58 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 19.2 Cg_endo -59.17 -52.98 4.03 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.349 2.033 . . . . 0.0 113.276 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -59.47 -20.6 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.599 0.238 . . . . 0.0 111.63 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -81.08 144.11 54.07 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.652 0.263 . . . . 0.0 111.194 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 99.7 Cg_exo -42.41 139.81 2.78 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 113.291 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.589 HD23 HE21 ' A' ' 71' ' ' GLN . 5.1 mt -49.98 -36.28 27.61 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -73.86 -46.2 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.323 0.583 . . . . 0.0 109.578 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 67' ' ' PRO . 11.9 m170 -63.71 -27.71 69.4 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.109 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.589 HE21 HD23 ' A' ' 68' ' ' LEU . 7.2 mt-30 -58.64 -54.16 50.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.53 -52.55 58.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.131 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.74 -35.12 68.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.738 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.511 ' HE2' HD11 ' A' ' 42' ' ' LEU . 9.8 t80 -61.02 -33.86 73.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -34.66 66.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.329 178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.62 -31.32 72.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.57 ' HD1' HG11 ' A' ' 5' ' ' VAL . 98.5 m-85 -59.62 -37.76 79.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.677 HD23 HD11 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -59.28 -52.04 67.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.31 -58.2 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -46.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.677 HD11 HD23 ' B' ' 105' ' ' LEU . 79.0 mt -56.55 -55.43 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -63.99 -35.42 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -54.18 -42.03 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 16.7 t80 -72.43 -33.9 67.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.606 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.36 -32.12 70.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.08 -32.97 30.05 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.569 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -31.87 34.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.652 0.263 . . . . 0.0 111.358 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' B' ' 104' ' ' TYR . 44.6 t -52.31 -37.48 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.277 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.06 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.733 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.04 83.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.71 -43.08 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.867 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -63.27 -44.97 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.294 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -72.3 -45.45 59.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.6 -41.31 97.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmtp -60.94 -53.66 54.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.428 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.5 t -53.25 -37.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.75 -28.54 64.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -31.96 70.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.128 0.489 . . . . 0.0 110.311 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.3 mt -88.37 -51.97 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.159 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.891 HG22 ' HB2' ' A' ' 19' ' ' ASN . 7.1 mm -86.09 -58.71 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.373 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 66.2 3.75 2.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.571 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.891 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.5 m-20 -99.14 178.74 4.82 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.737 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -111.99 -46.96 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.52 85.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.047 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 17' ' ' ILE . 2.1 mp0 -67.27 -46.95 72.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.29 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.98 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.01 -50.76 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.893 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 t80 -67.27 -46.17 74.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.542 ' CD2' HD11 ' A' ' 30' ' ' LEU . 6.7 tt -57.38 -42.04 81.37 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.0 m-85 -61.91 -32.47 72.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -33.48 67.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.161 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' TYR . 58.8 t -63.38 -54.39 33.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 CA-C-O 120.873 0.368 . . . . 0.0 110.641 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 26' ' ' LEU . 1.6 mt -62.79 -33.06 74.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.134 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -65.34 -40.77 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -77.76 -31.63 52.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.184 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' OH ' HG22 ' A' ' 39' ' ' VAL . 15.2 t80 -66.05 -31.37 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.419 ' O ' ' HE2' ' A' ' 37' ' ' MET . 41.3 t-80 -68.94 -34.85 76.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -55.3 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 32' ' ' MET . 10.2 t -75.67 -30.18 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.54 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.419 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 6.7 mmt 62.19 41.15 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.609 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 41' ' ' VAL . 87.9 m-20 -111.61 110.58 21.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 43' ' ' VAL . 42.2 t -66.3 -24.58 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.76 -25.71 59.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' ASP . 50.1 t -78.97 -45.54 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.92 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.3 pp -64.34 -39.4 93.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.4 t -67.76 -40.93 84.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.445 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.5 -54.39 36.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.082 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -51.3 -37.51 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.701 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.4 mttt -69.27 -49.79 52.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.98 -27.2 12.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.609 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -99.61 -27.84 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.513 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 50' ' ' ILE . 41.6 mt -102.54 23.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' LYS . 14.1 t30 -48.57 -27.54 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.106 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 8.5 mt-10 -96.26 142.57 24.75 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.749 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 31.8 Cg_exo -58.51 -18.96 42.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.531 2.154 . . . . 0.0 112.76 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -38.52 90.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.399 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.87 8.3 26.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.79 -179.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 6.6 mt -50.19 -53.44 44.07 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.0 Cg_exo -36.18 -30.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.49 2.793 . . . . 0.0 113.746 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.023 HD22 HD11 ' A' ' 62' ' ' ILE . 1.5 mt -53.76 -44.92 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 50' ' ' ILE . 47.0 m-85 -57.9 -50.7 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.252 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -74.41 -25.13 59.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -50.5 53.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.716 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.023 HD11 HD22 ' A' ' 58' ' ' LEU . 6.0 mt -75.01 -35.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.6 -54.35 10.46 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.509 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 86.8 Cg_exo -46.87 -53.02 6.76 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.942 2.428 . . . . 0.0 113.515 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.0 -25.57 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER -71.08 139.68 85.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.187 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -37.68 137.09 0.41 Allowed 'Trans proline' 0 CA--C 1.509 -0.752 0 C-N-CA 123.433 2.755 . . . . 0.0 113.213 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.19 -37.84 37.05 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.628 -1.623 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -71.78 -45.51 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 0.0 109.864 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 33.4 m170 -66.24 -25.11 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.17 -52.84 63.15 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.66 -50.51 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.899 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.6 -36.33 73.85 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' HE2' HD11 ' A' ' 42' ' ' LEU . 10.9 t80 -58.05 -33.67 69.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -48.79 33.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.095 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -66.51 -16.83 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.531 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.333 -0.147 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.872 0.368 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.499 ' CD2' HG11 ' A' ' 5' ' ' VAL . 81.6 m-85 -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -59.02 -52.07 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.32 71.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -58.0 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.15 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.5 mt -57.66 -55.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.27 -34.55 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.69 -41.25 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.112 0.482 . . . . 0.0 109.834 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' ILE . 1.9 t80 -72.03 -33.91 68.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -31.3 69.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.706 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -82.16 -34.63 29.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.56 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.734 0.302 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -73.42 -31.97 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' B' ' 104' ' ' TYR . 40.0 t -52.54 -33.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 108' ' ' ALA . . . -72.74 -38.71 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.583 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -67.68 -36.19 80.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.731 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -46.71 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.588 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.7 t80 -63.54 -40.07 96.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.71 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -62.92 -39.57 94.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 21.5 mmtt -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 9' ' ' PHE . 63.4 t -53.42 -38.55 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.606 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.16 -27.81 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.108 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -31.27 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.003 0.43 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -92.87 -48.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.195 -179.376 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.922 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.7 mp -90.08 -58.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.83 0.6 3.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.863 0.839 . . . . 0.0 110.058 -178.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.922 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.5 t-20 -95.86 169.31 10.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.495 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 96.3 m-20 -103.77 -47.27 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.65 75.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.398 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.06 -47.28 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.0 ptpt -66.54 -29.33 69.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -49.57 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.631 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.4 t80 -67.2 -47.2 71.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.41 -39.26 75.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD2' ' CZ ' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.59 -33.94 74.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.32 -35.7 68.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.071 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.753 ' CG1' HD23 ' A' ' 42' ' ' LEU . 28.3 t -63.31 -45.89 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 5.3 mt -63.23 -41.02 99.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.965 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -55.15 -40.3 70.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.324 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -66.04 -49.19 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.339 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CG ' HD12 ' A' ' 42' ' ' LEU . 61.7 t80 -56.25 -24.94 45.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.491 ' HB2' HD13 ' B' ' 109' ' ' ILE . 48.5 t-80 -73.94 -47.67 35.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 32' ' ' MET . 2.0 t -77.25 -31.07 54.74 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.6 mmt 63.86 49.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.827 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.561 ' OD2' HG21 ' A' ' 41' ' ' VAL . 15.4 p30 -105.76 108.97 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.56 -27.06 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.47 67.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.561 HG21 ' OD2' ' A' ' 38' ' ' ASP . 86.5 t -79.0 -44.6 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.753 HD23 ' CG1' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -56.29 -43.06 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.679 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 39' ' ' VAL . 31.4 t -63.94 -50.04 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.03 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -52.98 41.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.234 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.65 -43.03 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 9.4 mt -52.63 -35.55 54.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.47 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 23.8 mmtp -70.78 -50.55 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.86 -26.73 10.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.63 -27.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.425 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.743 ' O ' HG22 ' A' ' 50' ' ' ILE . 45.4 mt -103.62 24.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.01 -28.28 1.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.019 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.08 155.85 36.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.695 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -68.94 -22.74 35.5 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.602 2.202 . . . . 0.0 112.823 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -61.1 -35.96 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.7 mpt_? -88.14 14.26 9.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.713 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.5 mt -56.89 -46.71 99.83 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 90.8 Cg_exo -43.92 -25.81 1.17 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.849 2.366 . . . . 0.0 113.58 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -53.89 -48.27 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.662 ' HE2' HD23 ' A' ' 56' ' ' LEU . 12.6 m-85 -52.91 -50.78 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -74.31 -24.77 59.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.64 59.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.567 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 46' ' ' LEU . 32.2 mt -75.06 -35.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.02 9.93 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.0 Cg_exo -42.3 -53.68 3.51 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.816 2.344 . . . . 0.0 113.431 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.19 -26.44 60.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.672 HG13 HG22 ' A' ' 62' ' ' ILE . 45.4 mt -67.2 130.31 93.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.7 Cg_exo -40.28 138.93 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.071 2.514 . . . . 0.0 112.885 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.1 mt -49.96 -45.67 51.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.57 -1.65 . . . . 0.0 111.645 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.32 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.115 0.483 . . . . 0.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.8 m170 -67.58 -26.74 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -62.67 -46.76 86.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.032 0.444 . . . . 0.0 109.828 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.17 -55.6 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.945 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.7 mt-10 -58.4 -34.81 71.14 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.642 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.08 -33.42 72.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -72.69 -39.18 67.25 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.188 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -66.42 -24.71 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' GLU . 3.1 mt . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.806 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.788 0.328 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.619 ' CD2' HG21 ' A' ' 5' ' ' VAL . 82.2 m-85 -69.85 -31.03 68.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.599 ' HG ' HD12 ' B' ' 109' ' ' ILE . 40.2 tp -65.65 -52.21 53.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -57.62 -58.18 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . . . -70.01 -41.01 74.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.599 HD12 ' HG ' ' B' ' 105' ' ' LEU . 11.9 mt -56.37 -55.52 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.59 -35.87 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.598 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -43.48 66.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.115 0.483 . . . . 0.0 109.866 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.754 ' HA ' HD12 ' B' ' 115' ' ' ILE . 37.8 t80 -71.07 -33.77 70.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.563 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -60.34 -31.16 70.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.754 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.66 30.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.8 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.958 0.409 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -64.29 -31.75 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' B' ' 104' ' ' TYR . 39.9 t -52.49 -34.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 7.9 mtm180 -67.91 -41.22 83.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.533 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -31.82 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.6 t80 -75.98 -41.2 52.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 109.996 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -41.35 60.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.597 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 14.7 m170 -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.692 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.2 mmtp -59.24 -57.87 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 46.3 t -53.32 -37.65 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.689 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.09 -30.93 71.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.569 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -32.5 71.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.15 0.5 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 57' ' ' PRO . 2.9 mt -82.95 -50.86 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.244 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -76.12 -56.93 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.0 111.669 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 65.1 4.23 2.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.359 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.4 t30 -110.16 -171.46 1.84 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.6 -47.17 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.39 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' OE1' HG23 ' A' ' 17' ' ' ILE . 19.0 mt-10 -66.38 -46.89 75.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 16.1 ttmt -63.82 -31.56 72.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.188 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.05 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.27 -45.69 75.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.759 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 58' ' ' LEU . 1.9 tp -57.46 -44.14 84.59 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -60.06 -33.37 71.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 177.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.4 -32.83 66.71 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.155 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' TYR . 43.8 t -69.78 -47.38 70.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.548 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.0 -33.78 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -46.33 75.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.543 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 10.7 ptm -69.61 -33.04 72.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 42' ' ' LEU . 2.0 t80 -62.01 -43.01 99.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.527 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -72.65 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 5.0 t -77.57 -23.94 49.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.225 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.32 37.37 4.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.897 0.38 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.699 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.7 m-20 -109.71 110.71 21.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.5 t -72.16 -25.46 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.045 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.14 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 38' ' ' ASP . 58.9 t -78.98 -45.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.6 pp -63.19 -38.91 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.573 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 39' ' ' VAL . 60.8 t -63.48 -43.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.598 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.35 -55.32 31.38 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.162 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.451 ' HB2' HG11 ' A' ' 29' ' ' VAL . 3.1 m-20 -59.7 -43.11 94.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -50.33 -43.58 54.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -65.86 -48.81 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.77 -27.12 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 t -98.8 -28.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 46' ' ' LEU . 14.9 mt -101.7 23.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.7 p30 -46.94 -28.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 23.3 mm-40 -98.56 140.97 22.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 43.6 Cg_exo -56.79 -23.0 47.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.638 2.225 . . . . 0.0 112.633 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -58.99 -36.42 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.488 ' CB ' HG23 ' A' ' 50' ' ' ILE . 38.2 mtt85 -87.94 16.67 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.808 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 14.0 mt -52.98 -47.38 95.78 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 16' ' ' LEU . 85.9 Cg_exo -42.73 -28.98 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.76 2.306 . . . . 0.0 113.343 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -57.06 -33.57 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.148 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 50' ' ' ILE . 22.0 m-85 -71.09 -46.74 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.8 m-20 -75.19 -27.78 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -50.83 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 15.1 mt -74.8 -34.6 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.254 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 66' ' ' ILE . 31.6 ttt180 -43.6 -52.88 13.08 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 15.0 Cg_endo -57.9 -53.07 4.81 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.511 2.14 . . . . 0.0 113.529 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -67.41 -10.61 52.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.212 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -85.17 145.01 42.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 110.905 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 96.8 Cg_exo -42.3 138.4 3.19 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.861 2.374 . . . . 0.0 113.188 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.12 -42.99 51.5 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 113.572 -1.649 . . . . 0.0 111.302 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -72.2 -37.9 69.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 109.705 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.6 m170 -67.25 -26.18 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.482 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.1 mt-30 -60.81 -50.89 71.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 109.958 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.53 -52.59 59.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.892 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.47 -33.7 70.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.642 ' CE1' HG22 ' A' ' 43' ' ' VAL . 53.9 t80 -61.11 -33.55 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.73 -40.43 66.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.133 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.33 -26.17 67.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.82 -179.149 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.677 ' HD2' HG11 ' A' ' 5' ' ' VAL . 25.1 m-85 -72.8 -34.51 66.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.2 -50.52 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -34.41 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -58.06 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.02 -37.38 84.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.683 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.85 -55.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.812 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -35.23 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.729 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.01 -43.61 70.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 109.79 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 56.3 t80 -70.3 -33.83 72.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.537 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.75 -30.52 68.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.751 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.02 -35.26 29.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.743 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 27.9 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.53 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG21 ' HE1' ' B' ' 104' ' ' TYR . 44.4 t -52.32 -33.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.07 0.462 . . . . 0.0 110.251 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -40.55 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.67 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -67.76 -39.13 84.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.731 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -72.53 -36.83 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.271 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.3 t80 -69.34 -43.66 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.19 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -43.06 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -61.03 -45.44 94.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.55 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.21 -53.26 60.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' PHE . 51.1 t -53.39 -37.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.545 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -72.14 -27.47 62.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -69.74 -33.68 72.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.061 0.458 . . . . 0.0 110.568 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -91.54 -47.04 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.977 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.948 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.5 mp -81.76 -65.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 62.53 3.4 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.334 0.588 . . . . 0.0 111.892 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.948 ' H ' HG22 ' A' ' 17' ' ' ILE . 7.4 m-20 -107.37 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.44 -42.75 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.26 95.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.192 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' HG23 ' A' ' 17' ' ' ILE . 3.4 mt-10 -67.64 -45.29 75.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -65.55 -33.09 75.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.146 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.48 -48.11 81.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 t80 -67.26 -49.35 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.688 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -57.31 -39.36 75.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 2.4 m-85 -62.01 -34.26 75.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.53 66.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.261 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.7 t -67.77 -54.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.85 -38.02 77.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -44.29 93.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.445 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.895 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 mmm -71.05 -44.07 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.18 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 9.9 t80 -56.4 -26.13 52.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.745 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HB2' HD13 ' B' ' 109' ' ' ILE . 60.5 t-80 -74.53 -42.74 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.167 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -62.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.81 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 32' ' ' MET . 6.2 t -65.91 -26.37 67.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.605 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 10.0 mmt 60.66 30.72 19.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.759 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.649 ' HB3' HG23 ' A' ' 41' ' ' VAL . 2.6 m-20 -99.29 112.74 24.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.8 t -77.02 -25.24 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.1 61.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.474 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 38' ' ' ASP . 60.4 t -78.9 -44.34 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.028 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.65 -36.31 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.475 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' VAL . 95.8 t -63.31 -44.83 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.463 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.57 44.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.975 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m-20 -60.0 -41.65 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -53.02 -39.87 63.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.795 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -66.79 -50.32 63.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.149 0.5 . . . . 0.0 110.23 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.3 mt -51.89 -26.64 10.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.541 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' ASP . 24.6 t -98.48 -27.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.341 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.729 HD11 HD22 ' A' ' 46' ' ' LEU . 23.6 mt -101.17 22.2 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.055 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.38 150.28 36.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.4 Cg_exo -61.6 -25.97 79.86 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.587 2.192 . . . . 0.0 112.579 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.551 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.14 17.62 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.807 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.8 -45.82 99.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HG2' HD22 ' A' ' 16' ' ' LEU . 85.8 Cg_exo -47.56 -23.0 3.22 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.711 2.274 . . . . 0.0 113.519 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.965 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -53.96 -44.34 70.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.686 0.279 . . . . 0.0 111.499 -179.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.4 m-85 -57.9 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.336 . . . . 0.0 111.244 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -74.9 -25.27 58.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.95 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.563 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 58' ' ' LEU . 16.6 mt -75.07 -35.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.4 ttp180 -43.25 -53.43 11.08 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 87.6 Cg_exo -45.49 -53.23 5.72 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.255 . . . . 0.0 112.941 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD21 HG23 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -73.79 -14.48 61.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.248 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 62' ' ' ILE . 43.8 mt -82.82 135.45 45.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.065 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.3 Cg_exo -41.85 140.33 2.04 Favored 'Trans proline' 0 CA--C 1.51 -0.685 0 C-N-CA 123.109 2.539 . . . . 0.0 112.872 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.22 -45.01 53.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.774 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -66.54 -46.82 74.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.12 0.486 . . . . 0.0 110.111 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.535 ' CG ' HG21 ' A' ' 39' ' ' VAL . 36.1 m170 -64.99 -28.09 69.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.424 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.97 -47.19 87.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.975 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.8 t -61.39 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.154 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.78 -36.14 69.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.837 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 43' ' ' VAL . 66.3 t80 -59.61 -33.53 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -72.91 -37.06 67.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.286 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.53 -27.18 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.739 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.331 -0.203 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HE1' HG21 ' A' ' 5' ' ' VAL . 2.5 m-85 -61.83 -54.01 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.663 HD22 HD11 ' B' ' 109' ' ' ILE . 2.2 mt -56.44 -52.0 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.77 -32.17 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -58.15 9.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -45.65 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.663 HD11 HD22 ' B' ' 105' ' ' LEU . 86.9 mt -56.61 -55.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.984 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -35.44 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.22 -41.92 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 109.902 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.0 t80 -72.3 -33.79 67.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.657 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.52 -31.87 70.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.734 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.21 -32.96 29.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.711 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -32.02 72.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' B' ' 104' ' ' TYR . 41.0 t -52.52 -35.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.06 0.457 . . . . 0.0 110.121 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -39.13 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.608 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -38.14 83.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.06 -41.31 67.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t80 -68.36 -43.52 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.323 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -40.1 66.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -63.67 -46.06 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.779 0.323 . . . . 0.0 110.634 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.4 mmtp -59.53 -52.04 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.6 t -53.37 -37.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.777 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.47 -28.74 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.028 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.95 -32.68 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.999 0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -93.31 -43.6 8.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.406 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.96 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.7 mp -87.88 -62.78 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.171 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 61.08 3.62 0.72 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.299 0.571 . . . . 0.0 111.905 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.96 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -105.22 135.29 46.84 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.67 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.04 -51.66 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.18 92.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.735 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 50.2 mt-10 -68.38 -42.6 78.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.398 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 2.5 ttmp? -58.88 -28.9 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 -52.0 45.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.205 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.766 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.2 -32.99 74.42 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.154 -0.619 . . . . 0.0 111.463 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.015 HD11 HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -68.68 -48.07 64.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.28 -34.74 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 45' ' ' ASP . 71.6 t -62.66 -53.82 41.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.594 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.07 -39.6 92.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.255 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -63.18 -40.16 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.557 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.897 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -70.34 -42.08 72.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.934 0.397 . . . . 0.0 110.476 179.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.0 t80 -59.66 -31.71 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.834 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -84.61 -30.28 25.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.1 -62.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 32' ' ' MET . 9.2 t -73.91 -21.69 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.434 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt 61.37 45.09 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.948 0.404 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -125.06 112.55 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.1 t -67.7 -23.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.92 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 0.0 110.427 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 38' ' ' ASP . 63.3 t -78.95 -37.72 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -66.72 -39.01 87.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.261 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 39' ' ' VAL . 50.5 t -65.37 -47.76 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.18 41.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.126 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.787 ' HB3' HG22 ' A' ' 29' ' ' VAL . 25.6 m-20 -59.73 -40.92 89.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.939 0.399 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 HD11 ' A' ' 50' ' ' ILE . 11.0 mt -58.52 -29.76 66.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.4 mmtp -71.5 -50.81 27.78 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.71 -20.09 54.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.524 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.766 HG22 ' CE1' ' A' ' 25' ' ' TYR . 54.0 t -99.53 -29.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.199 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 HD22 ' A' ' 46' ' ' LEU . 27.6 mt -107.24 21.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.374 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.8 p-10 -50.25 -27.52 6.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.956 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.63 147.32 33.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' O ' HD12 ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.77 -27.84 79.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.473 2.116 . . . . 0.0 112.48 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -59.97 -37.63 80.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.654 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.15 17.41 5.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.785 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.2 mt -61.45 -44.02 91.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.649 ' HG2' HD22 ' A' ' 16' ' ' LEU . 83.2 Cg_exo -46.19 -23.02 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.683 2.256 . . . . 0.0 113.382 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.026 HD22 HD11 ' A' ' 62' ' ' ILE . 3.4 mt -53.89 -40.34 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.636 0.255 . . . . 0.0 111.486 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 50' ' ' ILE . 92.6 m-85 -61.85 -50.89 70.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 111.337 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.31 -28.2 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.62 -49.78 61.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.026 HD11 HD22 ' A' ' 58' ' ' LEU . 5.5 mt -75.2 -34.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.573 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -42.92 -50.59 13.39 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 7.4 Cg_endo -49.68 -53.24 7.37 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.297 1.998 . . . . 0.0 112.916 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.68 -8.85 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 111.215 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 62' ' ' ILE . 38.1 mt -84.6 128.85 59.58 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' B' ' 105' ' ' LEU . 96.9 Cg_exo -43.26 141.05 3.35 Favored 'Trans proline' 0 CA--C 1.509 -0.749 0 C-N-CA 122.996 2.464 . . . . 0.0 113.141 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -50.18 -46.56 54.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 1.1 ptpp? -67.18 -41.7 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.482 . . . . 0.0 109.98 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 49.5 m170 -66.61 -30.12 70.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.243 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.91 -45.76 93.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.07 -55.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.852 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.35 -35.18 69.59 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG22 ' A' ' 43' ' ' VAL . 27.1 t80 -59.8 -33.51 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -36.63 66.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.186 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -65.76 -30.36 71.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.702 0.287 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.434 ' CD1' HG11 ' A' ' 5' ' ' VAL . 1.8 m-85 -57.59 -52.26 66.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.53 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -58.23 -52.37 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.75 -33.55 73.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.64 -58.13 9.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.54 -41.92 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 105' ' ' LEU . 71.8 mt -56.91 -55.49 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.23 -35.08 79.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.91 -43.33 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 109.797 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.878 ' HA ' HD12 ' B' ' 115' ' ' ILE . 65.1 t80 -70.64 -34.24 71.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -29.75 69.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.742 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -35.29 29.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.562 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' B' ' 112' ' ' TYR . 8.3 mt . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -61.07 -31.89 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -52.24 -33.48 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.225 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' NH2' ' A' ' 10' ' ' ARG . . . -72.6 -41.36 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.669 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.4 ttp180 -67.86 -38.43 83.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.42 -47.71 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.474 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.826 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.0 t80 -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.171 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' NH2' ' HB1' ' A' ' 6' ' ' ALA . 21.9 ttm105 -71.64 -49.24 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.924 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 3.6 t-160 -59.26 -44.01 92.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.073 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -59.28 -53.77 54.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 9' ' ' PHE . 44.5 t -58.05 -39.63 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 18' ' ' GLU . 35.4 t70 -72.99 -22.72 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' CD2' ' A' ' 11' ' ' HIS . 1.1 m-85 -69.33 -54.91 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.259 0.552 . . . . 0.0 110.086 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -64.93 -41.93 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.521 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.873 HG13 HD12 ' A' ' 16' ' ' LEU . 10.1 mt -88.37 -63.71 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 27.3 tt0 68.1 3.68 3.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.187 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.861 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 t-20 -102.95 163.56 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.774 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.04 -45.32 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.97 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.62 -45.05 88.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.453 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 9.1 ttmt -64.76 -32.96 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.143 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -47.31 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -67.31 -48.66 66.96 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -57.23 -42.53 81.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 0.4 OUTLIER -60.32 -34.92 74.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.154 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -31.06 65.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.196 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.5 t -69.45 -54.33 20.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 9' ' ' PHE . 17.0 mt -59.8 -37.23 78.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.53 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.796 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.875 ' O ' HG22 ' A' ' 36' ' ' THR . 8.7 ptm -73.49 -30.26 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.852 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.6 t80 -62.64 -41.58 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -67.99 -30.17 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.01 -59.58 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 32' ' ' MET . 4.5 t -74.97 -25.6 58.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.277 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.49 48.94 4.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 41' ' ' VAL . 10.6 m-20 -121.29 107.89 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.852 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.2 t -69.54 -25.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.323 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -25.47 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.435 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.9 -43.19 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 66' ' ' ILE . 1.2 pp -65.61 -37.91 87.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.6 t -65.72 -42.64 92.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.41 -54.03 41.04 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.198 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.93 -44.53 97.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.6 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.36 -39.3 46.07 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ASN . 10.3 mttm -68.39 -49.5 59.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -52.03 -26.46 10.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.614 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.39 -27.81 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.777 HD11 HD22 ' A' ' 46' ' ' LEU . 24.2 mt -102.9 23.69 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.224 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -49.71 -27.44 4.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -100.21 144.25 28.05 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.4 Cg_exo -57.16 -24.79 60.68 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.509 2.139 . . . . 0.0 112.61 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -56.51 -38.38 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.373 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.02 15.52 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.743 -179.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.9 mt -53.77 -46.66 98.31 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HB2' HD22 ' A' ' 16' ' ' LEU . 80.9 Cg_exo -42.42 -28.88 1.08 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.693 2.262 . . . . 0.0 113.373 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 62' ' ' ILE . 1.1 mt -60.39 -41.74 94.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 111.138 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' A' ' 50' ' ' ILE . 34.6 m-85 -60.23 -50.66 72.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 10.4 t70 -75.25 -27.27 59.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.88 -52.39 37.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.897 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.953 HD11 HD22 ' A' ' 58' ' ' LEU . 17.9 mt -74.91 -34.91 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.265 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.605 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -43.41 -54.03 10.55 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -52.07 -53.15 7.45 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.785 2.324 . . . . 0.0 114.03 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -68.0 -10.46 53.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.641 HD11 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -85.22 141.22 37.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.68 0.276 . . . . 0.0 111.052 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.9 140.37 3.06 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 122.918 2.412 . . . . 0.0 113.146 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.01 -42.4 49.15 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.289 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -39.37 75.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.232 0.539 . . . . 0.0 109.638 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.591 ' CG ' HG21 ' A' ' 39' ' ' VAL . 41.2 m170 -66.13 -31.4 72.23 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.173 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.0 mt-30 -58.57 -49.2 78.3 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -58.44 -54.28 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.783 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.35 -33.1 67.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.514 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 42' ' ' LEU . 8.8 t80 -60.76 -33.45 72.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -73.03 -34.67 66.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.282 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -65.73 -32.79 74.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.046 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -65.16 -40.86 94.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.791 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.92 -52.09 66.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.756 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.74 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -59.43 -58.1 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.26 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.68 -55.42 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -65.74 -33.7 76.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -46.91 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.085 0.469 . . . . 0.0 109.775 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 4.1 t80 -69.91 -33.9 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.551 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.49 -29.71 69.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.718 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.94 -35.15 29.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.643 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.885 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -31.99 72.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' B' ' 104' ' ' TYR . 39.3 t -52.56 -36.05 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.461 . . . . 0.0 110.303 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.62 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -37.76 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.78 -50.05 46.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 13' ' ' VAL . 53.1 t80 -65.51 -40.11 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.37 -41.18 73.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -64.2 -48.51 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 mptt -59.24 -54.09 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.99 0.424 . . . . 0.0 110.299 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 9' ' ' PHE . 92.3 t -53.35 -37.0 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.577 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -70.34 -30.45 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.95 -32.81 71.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -90.38 -44.93 9.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.206 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.937 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.0 mp -85.23 -66.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 61.9 3.44 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.337 0.589 . . . . 0.0 111.968 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.937 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -103.36 -175.05 2.69 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.691 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -110.31 -49.29 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.64 83.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 17' ' ' ILE . 17.6 mt-10 -68.29 -46.26 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.522 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -63.14 -32.87 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.96 -51.97 65.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.017 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 29' ' ' VAL . 67.4 t80 -67.18 -45.03 78.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.879 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 13' ' ' VAL . 1.6 tt -57.44 -43.22 83.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.16 -33.75 72.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -72.33 -33.66 67.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.167 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' CB ' ' A' ' 45' ' ' ASP . 66.2 t -62.26 -46.77 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.381 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.43 -46.06 90.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.148 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -55.57 -32.3 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.385 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.751 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -71.16 -51.17 26.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.449 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.744 ' CG ' HD12 ' A' ' 42' ' ' LEU . 4.2 t80 -56.4 -24.39 44.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -82.0 -42.97 18.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.889 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -62.46 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.942 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 32' ' ' MET . 8.2 t -76.63 -35.43 58.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.009 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.2 mmt 60.96 53.28 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.735 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -121.87 112.44 18.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 t -57.65 -22.74 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.195 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.55 62.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.244 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 38' ' ' ASP . 93.9 t -74.59 -50.61 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -56.31 -46.44 79.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.693 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.5 t -65.58 -44.7 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.591 ' CB ' HG22 ' A' ' 29' ' ' VAL . 2.4 m-20 -61.66 -47.01 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -50.47 -42.57 54.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.7 mmtt -64.75 -50.48 66.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.332 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.02 -26.3 10.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.678 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.22 -27.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 46' ' ' LEU . 7.5 mt -103.41 23.01 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.355 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.83 -29.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.894 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 12.9 mt-10 -102.59 144.06 27.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.637 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 45.8 Cg_exo -56.32 -23.07 44.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.521 2.148 . . . . 0.0 112.677 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -36.89 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.397 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.11 18.92 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.877 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.4 mt -57.26 -46.23 99.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 79.4 Cg_exo -42.95 -26.87 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.791 2.327 . . . . 0.0 113.426 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 62' ' ' ILE . 5.7 mt -55.41 -36.58 66.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.277 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.438 ' HD1' ' HH ' ' A' ' 74' ' ' TYR . 79.2 m-85 -64.65 -51.01 64.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.143 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 t70 -75.11 -28.84 60.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.69 59.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.978 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 HD22 ' A' ' 58' ' ' LEU . 7.0 mt -74.97 -35.45 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -43.35 -53.34 11.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 98.2 Cg_exo -42.55 -54.09 3.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 113.573 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 105' ' ' LEU . 4.3 pp -74.49 -23.77 58.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.716 0.294 . . . . 0.0 111.067 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' LEU . 43.9 mt -68.45 133.22 91.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.83 139.8 13.74 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 122.821 2.347 . . . . 0.0 112.791 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.2 mt -50.1 -45.15 52.52 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 113.775 -1.557 . . . . 0.0 111.66 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -65.4 -50.7 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.145 0.498 . . . . 0.0 109.877 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 11.7 m170 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.35 -46.36 90.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.066 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.7 t -61.36 -55.04 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.102 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -34.09 69.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.575 ' OH ' HD13 ' A' ' 46' ' ' LEU . 49.1 t80 -60.97 -33.78 73.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.39 -35.66 65.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.327 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.9 -33.59 76.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 HG21 ' A' ' 43' ' ' VAL . 6.0 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.462 ' CD1' HG11 ' A' ' 5' ' ' VAL . 48.2 m-85 -47.29 -39.75 15.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.315 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.93 -52.21 66.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -58.12 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.45 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.25 -55.55 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -64.25 -37.7 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -40.62 66.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 109.837 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.487 ' HA ' HD12 ' B' ' 115' ' ' ILE . 8.0 t80 -72.4 -34.54 67.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.657 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.26 69.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -82.15 -33.79 29.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.699 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 112' ' ' TYR . 15.6 mt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.01 64.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' B' ' 104' ' ' TYR . 28.5 t -52.39 -35.18 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.39 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.9 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -67.75 -35.69 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.913 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.12 -50.13 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.836 ' O ' HG23 ' A' ' 13' ' ' VAL . 26.0 t80 -62.19 -37.01 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.228 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -74.19 -49.36 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.09 -34.36 77.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.2 mmtm -63.73 -54.99 26.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.372 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.4 t -53.38 -37.48 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.575 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -30.53 68.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -30.34 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.18 0.514 . . . . 0.0 110.386 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.799 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -87.1 -52.57 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.051 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 19' ' ' ASN . 10.5 mm -84.41 -62.94 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.601 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 26.7 tt0 67.58 3.9 3.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.395 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.0 t-20 -105.35 178.88 4.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.37 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -66.15 -44.24 84.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 179.647 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.194 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.1 76.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.841 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.0 t80 -67.15 -46.46 73.98 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD11 HD11 ' A' ' 58' ' ' LEU . 1.5 tt -57.24 -43.76 83.23 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.77 -33.66 71.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.337 178.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 42' ' ' LEU . 59.0 t -64.88 -49.58 79.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.643 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' HE2' ' A' ' 9' ' ' PHE . 32.2 mt -63.39 -39.84 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -36.02 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -74.92 -49.85 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.674 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CG ' HD12 ' A' ' 42' ' ' LEU . 29.4 t80 -59.09 -25.47 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CB ' HD13 ' B' ' 109' ' ' ILE . 16.5 t60 -84.8 -34.5 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.736 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -78.38 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.259 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 32' ' ' MET . 8.9 t -74.42 -27.9 60.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.655 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.4 mmt 63.16 51.39 2.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.731 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.855 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -123.32 112.37 17.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 43' ' ' VAL . 24.6 t -62.53 -25.16 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.12 -24.02 62.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.29 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.6 t -74.92 -54.73 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.595 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.796 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -55.21 -44.98 75.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.571 179.616 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.7 t -62.5 -46.18 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.71 -57.27 20.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -62.03 -40.99 97.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.809 HD22 HD11 ' A' ' 50' ' ' ILE . 9.9 mt -54.34 -37.94 65.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' ASN . 13.8 mmtp -70.19 -50.76 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.12 -27.6 14.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.058 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.16 -28.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 HD22 ' A' ' 46' ' ' LEU . 41.7 mt -105.12 25.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.184 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -46.77 -29.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.73 152.89 38.78 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 51.5 Cg_endo -68.84 -20.95 38.74 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.773 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -34.91 76.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.252 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' CB ' HG23 ' A' ' 50' ' ' ILE . 11.1 mtt85 -88.07 16.46 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.651 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 53' ' ' PRO . 11.9 mt -55.93 -44.92 99.92 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.2 Cg_exo -43.91 -24.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.715 2.277 . . . . 0.0 113.702 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -54.12 -53.06 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.376 -179.717 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -51.59 -49.15 62.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.1 t70 -74.97 -24.99 58.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.87 -51.61 46.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.686 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.689 HG22 HG13 ' A' ' 66' ' ' ILE . 10.1 mt -74.97 -34.61 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.206 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.574 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 2.0 ttt180 -42.83 -51.25 12.6 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.5 Cg_endo -53.85 -53.44 6.44 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.291 1.994 . . . . 0.0 113.126 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.913 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.87 -8.0 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.689 HG13 HG22 ' A' ' 62' ' ' ILE . 9.4 mt -81.98 134.59 49.47 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.533 0.206 . . . . 0.0 110.772 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -40.55 136.32 1.84 Allowed 'Trans proline' 0 CA--C 1.509 -0.741 0 C-N-CA 123.135 2.557 . . . . 0.0 112.96 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.28 -44.58 53.92 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.604 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 17.3 pttt -67.09 -46.76 73.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m170 -64.55 -28.22 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.527 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.7 -50.47 73.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.049 0.452 . . . . 0.0 109.845 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 72' ' ' VAL . 3.9 t -58.43 -52.6 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.742 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.86 -33.94 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.567 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -60.06 -33.92 72.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.18 -36.22 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.392 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -65.9 -32.74 74.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD13 HG12 ' A' ' 39' ' ' VAL . 5.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.738 0.304 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . 0.5 ' CD2' HG11 ' A' ' 5' ' ' VAL . 59.2 m-85 -60.97 -52.29 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.913 HD12 HD12 ' A' ' 65' ' ' LEU . 2.8 tp -56.64 -52.07 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -32.15 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.8 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -58.06 10.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.52 -42.7 67.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 105' ' ' LEU . 85.6 mt -57.01 -55.33 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.856 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -63.11 -35.61 80.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -40.06 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' TYR . . . . . 0.702 ' HA ' HD12 ' B' ' 115' ' ' ILE . 21.8 t80 -72.34 -34.13 67.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.87 -31.52 69.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.817 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -34.15 29.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.617 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' B' ' 112' ' ' TYR . 14.1 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -88.02 95.99 10.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.07 -46.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -60.57 -31.75 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.749 HG21 ' CE2' ' B' ' 104' ' ' TYR . 41.0 t -52.17 -33.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.076 0.465 . . . . 0.0 110.061 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.9 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.788 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 7.5 ttp180 -67.9 -42.16 81.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 23.3 mt-10 -70.42 -31.43 68.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.26 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 t80 -76.13 -43.43 43.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.329 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -75.42 -34.75 61.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 12.0 t-160 -71.74 -35.59 70.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.822 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -67.94 -54.28 19.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.353 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 38.2 t -53.65 -37.64 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.18 -29.86 65.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.655 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -29.52 66.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.604 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -86.69 -51.61 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.237 -179.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 19' ' ' ASN . 21.0 mm -77.09 -54.08 13.59 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.67 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 64.13 4.07 1.95 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.447 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.636 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.7 t30 -104.79 171.15 7.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.08 -49.62 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.41 -40.97 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' HB2' HG21 ' A' ' 17' ' ' ILE . 14.6 mt-10 -66.82 -46.96 73.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -32.08 73.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.181 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.27 -50.9 69.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.773 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 65.1 t80 -67.26 -46.46 73.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.641 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.814 HD21 HD21 ' A' ' 58' ' ' LEU . 40.5 tp -57.4 -40.99 79.43 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.8 m-85 -61.34 -32.42 72.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.52 -33.96 69.65 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.909 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.695 ' CG1' HD23 ' A' ' 42' ' ' LEU . 47.0 t -61.97 -47.7 92.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.442 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.24 -43.79 98.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.256 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -33.73 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.378 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.899 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.08 -52.2 20.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.336 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CG ' HD12 ' A' ' 42' ' ' LEU . 32.4 t80 -56.16 -23.54 35.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.889 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB2' HD13 ' B' ' 109' ' ' ILE . 54.0 t-80 -77.49 -46.81 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.839 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.864 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' O ' ' A' ' 32' ' ' MET . 15.0 t -67.58 -32.2 72.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.993 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.3 mmt 59.04 49.35 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 0.0 110.719 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' CG ' HG23 ' A' ' 41' ' ' VAL . 44.3 t0 -124.35 101.36 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -57.35 -29.48 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.452 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -67.01 -25.12 66.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' CG ' ' A' ' 38' ' ' ASP . 92.3 t -78.91 -43.01 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -58.13 -46.13 86.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.746 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 47' ' ' LYS . 22.0 t -57.36 -44.56 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.207 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.36 -56.79 23.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 48' ' ' LEU . 9.3 m-20 -62.13 -49.15 77.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.855 0.359 . . . . 0.0 110.802 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -50.75 -33.77 24.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.797 ' HD2' HG12 ' A' ' 43' ' ' VAL . 4.7 mtpt -70.88 -50.79 31.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.272 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -52.88 -26.05 13.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 t -101.06 -28.01 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 50' ' ' ILE . 46.0 mt -104.84 24.9 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.312 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -47.61 -28.25 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.1 146.45 32.32 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.752 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' HD12 ' A' ' 56' ' ' LEU . 31.8 Cg_exo -58.78 -26.17 79.05 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.564 2.176 . . . . 0.0 112.597 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.2 m -55.51 -38.04 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.09 18.86 3.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.761 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.645 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.3 mt -58.27 -46.9 99.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 93.6 Cg_exo -43.73 -26.94 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.851 2.367 . . . . 0.0 113.475 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -54.1 -33.89 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.689 0.281 . . . . 0.0 111.319 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' HE2' HD23 ' A' ' 56' ' ' LEU . 15.9 m-85 -67.08 -50.6 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.962 0.41 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.0 -26.09 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -48.9 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.63 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 8.9 mt -75.01 -35.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.22 -53.11 11.5 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 89.3 Cg_exo -41.09 -53.68 2.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.851 2.367 . . . . 0.0 113.417 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.831 HD12 HD12 ' B' ' 105' ' ' LEU . 0.4 OUTLIER -74.25 -24.95 59.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 62' ' ' ILE . 44.6 mt -67.3 132.98 93.25 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.8 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -39.73 137.63 1.07 Allowed 'Trans proline' 0 CA--C 1.51 -0.7 0 C-N-CA 122.887 2.391 . . . . 0.0 113.231 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.06 -42.87 50.68 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.663 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -44.21 70.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.095 0.474 . . . . 0.0 110.155 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 9.1 m170 -67.11 -25.5 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.457 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.82 -50.86 71.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.042 0.449 . . . . 0.0 109.935 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -61.07 -52.93 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.937 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -58.06 -34.43 70.11 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.634 ' O ' HG23 ' A' ' 78' ' ' THR . 59.1 t80 -61.57 -33.64 74.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -73.11 -36.5 66.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.279 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.83 -32.28 73.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt -78.93 -37.76 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.024 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 74' ' ' TYR . 25.2 p -85.74 141.59 36.18 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.48 -31.15 7.4 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 p30 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -141.73 141.56 33.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.51 47.11 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -156.16 -45.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.749 ' CE2' HG21 ' A' ' 5' ' ' VAL . 66.9 m-85 -72.83 -31.28 64.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.86 -52.27 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.702 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -63.41 -32.18 73.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.5 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.25 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 34' ' ' HIS . 62.7 mt -56.8 -55.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.01 -43.64 73.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.189 0.519 . . . . 0.0 109.858 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.899 ' HA ' HD12 ' B' ' 115' ' ' ILE . 41.1 t80 -71.7 -34.71 69.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.374 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.61 -29.77 68.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.764 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.06 -36.04 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.636 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 112' ' ' TYR . 13.9 mt -67.66 -36.35 75.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.07 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.79 36.78 27.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.267 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.426 ' CG ' HG22 ' B' ' 115' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 5' ' ' VAL . 8.7 ptp . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -98.48 45.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.15 -40.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -67.86 -32.21 72.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.559 HG11 ' HD1' ' B' ' 104' ' ' TYR . 45.1 t -52.67 -39.78 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.881 0.372 . . . . 0.0 110.095 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.9 67.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.81 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -39.64 87.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.5 -49.51 40.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.874 ' O ' HG23 ' A' ' 13' ' ' VAL . 85.5 t80 -60.45 -43.27 97.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -71.5 -45.72 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.804 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.0 tmtp? -59.3 -54.01 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.299 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.4 t -53.43 -37.41 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.725 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -72.89 -29.07 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -29.49 66.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.098 0.475 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -86.86 -52.19 5.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.359 -179.21 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.6 mm -74.45 -56.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.629 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 64.81 4.23 2.33 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.369 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.4 t-20 -107.97 -172.23 2.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -48.02 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.99 85.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -46.92 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -64.61 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.112 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.745 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' HG23 ' A' ' 29' ' ' VAL . 63.9 t80 -67.2 -47.23 71.54 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.681 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 58' ' ' LEU . 30.5 tp -57.29 -41.37 79.67 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CE1' ' CD2' ' B' ' 112' ' ' TYR . 1.2 m-85 -61.18 -34.13 74.57 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.39 -33.42 67.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.376 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 25' ' ' TYR . 47.5 t -66.7 -49.29 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.77 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.17 -35.16 79.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.227 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -68.15 -45.56 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ptm -71.8 -28.93 63.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.566 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.606 ' CD2' HD22 ' A' ' 42' ' ' LEU . 4.2 t80 -67.59 -39.01 84.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.712 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' HB2' HD13 ' B' ' 109' ' ' ILE . 42.3 t-80 -66.21 -30.7 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.34 -62.07 1.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.512 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 4.3 t -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.78 32.21 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.652 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.601 ' OD2' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -100.69 101.56 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -64.85 -30.03 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.494 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 -26.71 64.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.601 HG23 ' OD2' ' A' ' 38' ' ' ASP . 91.8 t -79.03 -47.96 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.2 pp -59.59 -38.38 81.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.638 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.6 t -63.75 -40.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.95 -53.2 48.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.755 . . . . 0.0 111.952 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.32 -45.42 91.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 110.231 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.821 ' CD2' HD12 ' A' ' 58' ' ' LEU . 10.3 mt -52.14 -36.27 50.94 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.422 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ASN . 4.5 mttm -68.0 -50.24 56.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.054 0.454 . . . . 0.0 110.395 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt -54.84 -26.18 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 t -101.11 -28.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.825 0.345 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.799 ' O ' HG22 ' A' ' 50' ' ' ILE . 3.7 mp -110.2 27.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.458 0.647 . . . . 0.0 110.773 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 t-20 -48.96 -27.76 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.019 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 38.1 mt-10 -94.59 139.56 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.835 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 47.3 Cg_exo -56.14 -24.06 47.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.475 2.117 . . . . 0.0 112.482 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -56.93 -36.28 70.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' CB ' HG23 ' A' ' 50' ' ' ILE . 14.1 mtt-85 -87.96 12.03 14.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.637 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.7 mt -46.65 -49.37 46.77 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.3 Cg_exo -42.03 -28.18 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.781 2.32 . . . . 0.0 113.319 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.821 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.37 -35.4 73.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 111.28 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.69 -45.72 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 5.7 t0 -75.03 -26.36 59.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.57 -48.03 68.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 58' ' ' LEU . 12.9 mt -75.02 -34.67 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.991 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.9 ttm180 -42.97 -51.05 13.24 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -53.38 -53.32 6.83 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.272 1.981 . . . . 0.0 113.233 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.66 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.74 -7.37 51.84 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.375 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.677 HG13 HG22 ' A' ' 62' ' ' ILE . 20.1 mt -85.34 135.61 38.68 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.652 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 92.9 Cg_exo -41.6 137.06 2.79 Favored 'Trans proline' 0 CA--C 1.508 -0.788 0 C-N-CA 122.907 2.405 . . . . 0.0 112.97 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.11 -42.27 50.09 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 113.752 -1.567 . . . . 0.0 111.346 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -71.83 -41.85 67.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.728 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.675 ' HB3' HG11 ' A' ' 39' ' ' VAL . 14.9 m170 -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.428 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.97 -50.43 73.41 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.045 0.45 . . . . 0.0 110.14 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.17 -54.47 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.218 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.87 -36.32 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.76 ' HA ' HD12 ' A' ' 77' ' ' LEU . 34.1 t80 -60.15 -33.67 72.49 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -35.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.138 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -65.82 -33.68 76.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 74' ' ' TYR . 2.3 mt -76.0 -41.69 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 p -62.88 111.15 4.32 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.54 165.42 30.55 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.09 21.71 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.125 0.488 . . . . 0.0 111.207 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.75 29.34 6.69 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.04 -39.18 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.559 ' HD1' HG11 ' A' ' 5' ' ' VAL . 55.6 m-85 -55.84 -49.77 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.66 HD12 HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -59.05 -52.03 67.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -32.2 72.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -58.14 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.59 63.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.426 HD11 ' HG ' ' B' ' 105' ' ' LEU . 84.0 mt -58.05 -55.45 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -67.1 -33.56 75.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.421 ' O ' HG12 ' B' ' 115' ' ' ILE . 0.6 OUTLIER -55.06 -45.65 75.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.434 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -67.72 -36.16 80.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.61 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.63 -27.54 64.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -81.98 -37.68 26.28 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.683 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.421 HG12 ' O ' ' B' ' 111' ' ' GLU . 41.0 mm -57.53 -40.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.973 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 58.81 37.44 24.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.876 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.778 0.323 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -99.41 94.82 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -174.73 -40.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -71.39 -31.97 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.538 HG11 ' HD1' ' B' ' 104' ' ' TYR . 25.9 t -52.45 -34.65 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.37 66.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.639 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -36.66 81.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.02 -49.99 39.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.474 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 27.7 t80 -66.18 -34.68 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -43.77 55.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -68.47 -44.6 74.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -59.19 -58.0 10.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.339 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' PHE . 82.9 t -53.82 -37.37 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.497 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.39 -27.73 62.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.725 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -32.02 70.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -91.46 -51.04 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.943 -179.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.918 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.8 mp -70.2 -50.57 46.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.89 3.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.262 0.553 . . . . 0.0 112.424 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.918 ' H ' HG22 ' A' ' 17' ' ' ILE . 98.6 m-20 -113.48 141.5 47.04 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.705 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.29 -50.84 19.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.11 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.059 0.457 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB2' HG23 ' A' ' 17' ' ' ILE . 4.8 mm-40 -61.68 -46.81 88.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.7 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -62.88 -30.84 71.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.298 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.18 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 29' ' ' VAL . 55.7 t80 -67.2 -46.9 72.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.762 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 58' ' ' LEU . 6.8 tt -57.42 -42.01 81.51 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD2' ' CE2' ' B' ' 112' ' ' TYR . 1.1 m-85 -60.44 -34.34 73.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.24 -32.75 66.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.154 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 45' ' ' ASP . 90.5 t -62.18 -50.69 78.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD21 ' CZ ' ' A' ' 9' ' ' PHE . 1.3 mt -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.33 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -37.89 80.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.518 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.511 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -77.77 -34.19 52.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.351 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.598 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.1 t80 -60.56 -33.37 72.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.572 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -67.25 -34.66 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.23 -54.32 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 ' H ' ' A' ' 38' ' ' ASP . 12.2 t -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.85 40.53 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.82 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -128.57 111.07 12.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.9 t -57.67 -24.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.61 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.408 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.82 HG23 ' HB3' ' A' ' 38' ' ' ASP . 97.6 t -78.8 -45.75 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.665 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.826 HD12 HD23 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -61.0 -41.24 96.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.192 179.669 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.9 t -64.76 -49.55 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.36 -43.11 57.58 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 29' ' ' VAL . 58.6 m-20 -65.96 -58.47 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.95 0.405 . . . . 0.0 110.523 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.826 HD23 HD12 ' A' ' 42' ' ' LEU . 1.4 pp -58.49 -23.6 58.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.52 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -65.61 -50.96 63.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.4 -27.23 64.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.532 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG13 ' OE1' ' A' ' 22' ' ' GLU . 47.0 t -87.1 -25.65 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.128 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.801 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.0 mt -115.25 26.13 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.261 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.4 t-20 -45.01 -25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.2 149.52 36.32 Favored Pre-proline 0 C--N 1.334 -0.105 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.589 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.712 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.7 Cg_endo -66.74 -20.62 52.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.644 2.229 . . . . 0.0 112.87 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -34.77 78.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.296 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 50' ' ' ILE . 67.9 mtt85 -87.98 11.67 15.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.794 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD23 ' CE2' ' A' ' 59' ' ' PHE . 7.3 mt -50.94 -46.25 87.71 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.766 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.7 Cg_exo -31.9 -32.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.535 2.823 . . . . 0.0 115.028 -178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.028 HD23 HD11 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -54.69 -33.39 60.84 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.251 -0.28 . . . . 0.0 111.703 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CE2' HD23 ' A' ' 56' ' ' LEU . 59.3 m-85 -64.51 -50.92 65.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.858 0.361 . . . . 0.0 110.738 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 4.0 t70 -75.27 -28.97 60.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.048 0.451 . . . . 0.0 110.599 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.671 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.17 -50.38 54.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.926 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.028 HD11 HD23 ' A' ' 58' ' ' LEU . 8.0 mt -76.01 -35.72 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -47.97 -36.41 10.33 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.671 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 17.4 Cg_exo -68.18 -52.89 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.374 2.05 . . . . 0.0 112.922 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 HD22 ' B' ' 105' ' ' LEU . 1.7 pp -62.72 -33.58 75.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.051 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -66.04 145.04 99.0 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.485 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 63.1 Cg_exo -37.75 137.53 0.4 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 122.915 2.41 . . . . 0.0 113.413 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.9 mt -50.04 -31.95 14.23 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.546 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -32.05 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 15.8 m170 -71.9 -37.69 70.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.748 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.6 pt20 -60.33 -39.2 86.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.921 0.391 . . . . 0.0 110.114 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 68' ' ' LEU . 2.9 t -63.04 -57.2 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.71 -32.45 65.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' OH ' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -59.35 -36.73 76.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.34 64.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.605 179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -65.89 -33.48 75.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.803 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.5 -38.62 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 110.788 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.665 HG21 ' CD1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -97.87 135.93 21.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.804 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.28 145.31 53.79 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.425 2.083 . . . . 0.0 112.468 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.07 140.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.36 25.01 15.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.7 -40.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.538 ' HD1' HG11 ' A' ' 5' ' ' VAL . 50.7 m-85 -53.47 -51.79 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.349 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.765 HD12 HD11 ' B' ' 109' ' ' ILE . 2.8 mm? -60.02 -52.2 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.935 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -32.31 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -61.98 -58.26 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.126 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -45.94 56.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.765 HD11 HD12 ' B' ' 105' ' ' LEU . 89.9 mt -56.48 -55.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -65.32 -35.84 82.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -41.68 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' B' ' 115' ' ' ILE . 54.8 t80 -71.95 -33.82 68.52 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.611 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -31.66 70.25 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -82.13 -33.69 29.53 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.575 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' B' ' 112' ' ' TYR . 19.6 mt -75.49 -69.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.896 0.379 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 60.6 58.16 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtm . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.876 0.369 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -156.17 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -131.83 -42.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -32.22 54.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -52.58 -41.81 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.224 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' HB2' ' OE1' ' B' ' 107' ' ' GLU . . . -72.8 -33.07 66.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.729 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -67.71 -39.38 84.37 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.3 -48.72 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.817 ' O ' HG23 ' A' ' 13' ' ' VAL . 73.8 t80 -64.79 -39.17 93.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.296 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -73.4 -43.2 61.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.852 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -67.18 -41.83 85.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.69 -57.03 14.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 110.446 179.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.6 t -53.39 -37.34 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.632 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.73 -28.17 63.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.587 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.59 -31.59 69.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.023 0.439 . . . . 0.0 110.418 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -89.63 -51.54 5.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.059 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 19' ' ' ASN . 6.5 mt -85.55 -59.83 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.493 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 32.2 tt0 67.55 3.7 3.49 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.046 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.692 ' HB2' HG22 ' A' ' 17' ' ' ILE . 85.6 m-20 -106.75 161.3 14.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.73 -39.57 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.25 -54.04 50.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.013 0.435 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.602 ' HB3' HD13 ' A' ' 17' ' ' ILE . 4.6 mt-10 -61.24 -45.81 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.439 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -30.99 71.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.143 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -52.41 64.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.892 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.9 t80 -67.15 -44.54 79.53 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.585 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 58' ' ' LEU . 20.7 tp -57.59 -41.74 81.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.4 m-85 -61.26 -32.38 72.19 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -35.5 71.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.885 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.721 HG12 HD23 ' A' ' 42' ' ' LEU . 47.2 t -61.59 -48.45 88.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.376 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.29 -37.58 86.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.889 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -55.72 -41.8 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.267 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 36' ' ' THR . 49.8 mmm -64.83 -49.98 68.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.186 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' O ' ' HA ' ' A' ' 37' ' ' MET . 12.3 t80 -56.36 -23.05 34.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.612 ' HB2' HD13 ' B' ' 109' ' ' ILE . 57.5 t-80 -81.76 -46.13 14.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -78.52 -62.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.979 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 32' ' ' MET . 6.4 t -77.82 -38.25 46.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.904 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.36 51.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.4 t70 -114.78 109.62 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.001 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.818 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.8 t -62.0 -21.64 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.298 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . . . -74.68 -29.41 61.21 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 38' ' ' ASP . 95.9 t -77.05 -38.46 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.616 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 29' ' ' VAL . 1.2 mt -65.42 -45.17 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -66.19 -41.88 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.78 -55.69 29.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.643 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' CB ' HG22 ' A' ' 29' ' ' VAL . 5.8 m-20 -61.47 -44.47 97.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.976 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.698 HD21 HD11 ' A' ' 62' ' ' ILE . 11.8 mt -50.52 -42.7 55.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.3 mttm -66.33 -49.52 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.609 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mt -51.8 -26.37 9.62 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.536 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.28 -28.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.28 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 50' ' ' ILE . 11.9 mt -101.43 23.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.19 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.5 m120 -46.49 -29.62 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.968 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 7.0 mm-40 -101.83 144.94 29.59 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 44.2 Cg_exo -56.46 -24.39 52.45 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.508 2.139 . . . . 0.0 112.617 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.2 p -58.39 -38.25 76.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.365 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.641 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.9 mtt180 -88.02 14.16 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.806 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.644 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.6 mt -53.23 -52.5 65.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.98 -27.73 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.475 2.783 . . . . 0.0 113.68 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.72 -33.37 55.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 111.224 -179.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 50' ' ' ILE . 18.1 m-85 -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.754 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.574 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.4 OUTLIER -75.13 -21.85 58.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.642 ' O ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.18 -51.45 45.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.523 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.922 HD11 HD22 ' A' ' 58' ' ' LEU . 8.7 mt -76.18 -35.92 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' CG ' ' HD3' ' A' ' 64' ' ' PRO . 11.3 ptt180 -46.34 -37.2 7.53 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.642 ' HD2' ' O ' ' A' ' 61' ' ' ALA . 47.6 Cg_exo -58.01 -52.88 5.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.072 1.848 . . . . 0.0 112.482 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.898 HD12 HD22 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -72.11 -19.33 61.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 179.531 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.485 HG13 HG22 ' A' ' 62' ' ' ILE . 42.0 mt -73.23 134.17 80.51 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.03 135.16 8.15 Favored 'Trans proline' 0 CA--C 1.509 -0.729 0 C-N-CA 122.766 2.311 . . . . 0.0 112.868 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.5 mt -50.26 -26.78 5.09 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.66 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -87.2 -34.23 19.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 35.3 m170 -73.53 -32.62 64.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.686 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 3.0 pt20 -65.27 -37.24 86.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.6 t -64.15 -59.59 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -58.57 -36.11 73.44 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 43' ' ' VAL . 64.0 t80 -57.14 -33.48 67.44 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' PRO . 60.8 m-20 -72.89 -42.19 63.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.919 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.78 -16.22 63.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 74' ' ' TYR . 14.0 mt -92.21 -38.77 11.92 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.717 HG23 ' CG1' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -100.52 -74.84 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.259 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 78' ' ' THR . 30.2 Cg_endo -65.54 123.06 10.89 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.376 2.05 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.014 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.7 -159.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -90.13 19.95 4.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.707 0.289 . . . . 0.0 111.327 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -63.27 -36.01 82.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.799 0.333 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.24 -36.07 76.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.898 HD22 HD12 ' A' ' 65' ' ' LEU . 3.8 mm? -60.11 -52.24 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.738 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -62.19 -32.18 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -59.06 -57.99 10.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.08 72.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 34' ' ' HIS . 60.9 mt -60.29 -55.47 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -65.72 -38.87 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.75 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.99 -40.06 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.736 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.9 -33.92 68.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.606 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.97 -32.37 69.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.781 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -82.03 -34.47 29.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.662 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.0 mt -69.44 -33.73 58.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.36 53.52 2.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.984 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.55 43.0 8.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -113.6 -37.58 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.88 -31.68 70.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG11 ' HD1' ' B' ' 104' ' ' TYR . 39.5 t -52.16 -33.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.268 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.04 64.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.648 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -35.99 79.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.48 -50.0 35.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.487 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.854 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.5 t80 -59.48 -42.14 91.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.305 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -48.26 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.807 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -59.15 -43.29 92.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.56 -53.93 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.393 . . . . 0.0 110.467 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 9' ' ' PHE . 45.3 t -53.38 -37.52 29.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -69.67 -29.04 66.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -32.65 71.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.07 0.462 . . . . 0.0 110.551 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 57' ' ' PRO . 3.8 mt -82.92 -51.29 7.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.195 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.546 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.5 mm -75.63 -55.81 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.5 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 64.38 4.22 2.12 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.445 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.5 t30 -105.82 174.39 5.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.25 -52.49 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.04 74.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mm-40 -65.24 -46.84 78.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.688 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -61.54 -32.67 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.318 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -62.28 -51.58 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.5 t80 -67.18 -43.14 82.94 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.038 HD11 HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -57.46 -46.61 83.46 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE2' ' CD1' ' B' ' 112' ' ' TYR . 0.3 OUTLIER -60.01 -31.35 69.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -72.46 -33.24 66.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 45' ' ' ASP . 55.7 t -66.26 -49.36 76.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.568 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.36 -37.05 85.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -45.85 87.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.315 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -64.54 -36.83 85.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.168 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -63.05 -34.66 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' B' ' 109' ' ' ILE . 39.4 t-80 -75.02 -30.39 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.22 -62.21 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.47 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 4.7 t -72.64 -26.39 61.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.522 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 63.74 33.36 12.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 0.0 110.658 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 36' ' ' THR . 17.8 t0 -113.62 113.26 24.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.859 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.7 t -65.89 -22.85 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.59 -27.01 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.972 0.415 . . . . 0.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.4 t -78.38 -43.44 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.687 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -63.52 -39.64 94.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 39' ' ' VAL . 47.5 t -67.21 -40.9 86.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.3 -52.45 49.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.141 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.619 ' HB3' HG22 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -65.53 -47.25 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.508 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.823 HD22 HD11 ' A' ' 50' ' ' ILE . 9.6 mt -50.56 -44.39 56.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HD3' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -62.76 -50.44 71.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.592 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -51.87 -26.69 10.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.456 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.28 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.163 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.823 HD11 HD22 ' A' ' 46' ' ' LEU . 7.1 mt -101.9 22.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.546 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.95 -30.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.57 153.06 37.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 56' ' ' LEU . 25.3 Cg_exo -62.82 -24.96 74.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.654 2.236 . . . . 0.0 112.625 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -56.65 -38.41 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.606 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.559 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.95 15.13 7.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.947 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.8 mt -56.99 -45.86 99.92 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 16' ' ' LEU . 91.8 Cg_exo -43.8 -26.92 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.818 2.346 . . . . 0.0 113.515 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 26' ' ' LEU . 3.2 mt -56.85 -41.3 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.714 0.292 . . . . 0.0 111.263 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -61.3 -50.87 71.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.292 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -75.19 -26.66 59.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.741 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.92 -50.04 58.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.629 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.909 HD11 HD22 ' A' ' 58' ' ' LEU . 16.8 mt -75.12 -35.44 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 66' ' ' ILE . 5.4 ttt85 -42.93 -51.02 13.15 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 91.4 Cg_exo -41.18 -54.19 2.69 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.554 2.169 . . . . 0.0 113.622 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.83 HD12 ' HG ' ' B' ' 105' ' ' LEU . 0.3 OUTLIER -74.58 -30.48 61.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 110.991 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 63' ' ' ARG . 94.7 mt -56.59 135.04 77.62 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 84.6 Cg_exo -45.09 140.63 7.25 Favored 'Trans proline' 0 CA--C 1.508 -0.791 0 C-N-CA 122.82 2.347 . . . . 0.0 113.026 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.13 -46.3 53.74 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.622 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.83 70.58 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.214 0.531 . . . . 0.0 109.876 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.45 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 23.1 m170 -68.32 -29.29 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.143 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.26 -53.48 57.76 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.053 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -57.48 -53.25 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.061 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -57.33 -33.98 68.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.694 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.7 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.7 t80 -60.57 -33.64 73.0 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.92 -41.69 64.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.333 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.44 -22.32 66.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.677 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.0 -23.96 16.03 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.433 ' CB ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -50.46 -54.3 36.45 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.904 0.383 . . . . 0.0 111.347 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 78' ' ' THR . 50.4 Cg_exo -52.16 150.66 18.7 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.914 2.41 . . . . 0.0 112.272 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -115.69 140.02 49.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 60.95 32.52 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.35 -41.81 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HD1' HG11 ' A' ' 5' ' ' VAL . 97.2 m-85 -72.69 -33.82 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.83 ' HG ' HD12 ' A' ' 65' ' ' LEU . 3.5 mt -59.44 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -58.92 -35.19 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.61 -58.04 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.481 HD13 ' HB2' ' A' ' 34' ' ' HIS . 57.5 mt -57.08 -55.43 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.837 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -35.6 79.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.552 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -42.65 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.154 0.502 . . . . 0.0 109.782 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.838 ' HA ' HD12 ' B' ' 115' ' ' ILE . 70.1 t80 -70.6 -33.99 71.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.592 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.93 -30.33 68.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.735 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.06 -35.42 28.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.684 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' B' ' 112' ' ' TYR . 20.8 mt -66.32 -45.38 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.0 63.88 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.808 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.78 31.77 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -77.39 -31.26 54.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -63.24 -32.0 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.494 HG11 ' CD1' ' B' ' 104' ' ' TYR . 28.6 t -52.24 -35.61 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 110.266 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -39.25 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.668 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -67.7 -38.49 83.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.47 -50.06 42.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.884 ' O ' HG23 ' A' ' 13' ' ' VAL . 80.0 t80 -63.47 -41.21 98.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.147 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -44.22 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.73 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' HA ' ' OD2' ' A' ' 14' ' ' ASP . 7.7 m170 -59.74 -45.41 92.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.751 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.22 -47.06 86.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.936 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 9' ' ' PHE . 59.1 t -53.73 -49.87 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.172 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.2 p30 -72.98 -17.42 61.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.76 -37.89 76.56 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.29 0.566 . . . . 0.0 109.957 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -93.53 -46.89 7.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.004 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.946 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.5 mp -68.57 -52.6 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 56.05 3.83 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.248 0.547 . . . . 0.0 112.03 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.946 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.9 t30 -110.67 -165.74 1.02 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.714 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.28 -47.25 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.74 80.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -64.6 -46.93 80.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.844 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HG3' HG12 ' A' ' 13' ' ' VAL . 3.3 mtmt -62.47 -33.53 75.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.256 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -47.91 82.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.978 0.418 . . . . 0.0 109.957 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.3 t80 -67.1 -49.04 66.3 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.839 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.4 -41.58 80.56 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' CE1' ' B' ' 112' ' ' TYR . 3.6 m-85 -61.02 -34.28 74.59 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.47 -32.77 66.51 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.168 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 25' ' ' TYR . 75.0 t -62.91 -54.31 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.589 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 44.8 mt -60.42 -39.29 86.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.179 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -60.34 -41.72 94.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.306 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.886 ' O ' HG22 ' A' ' 36' ' ' THR . 1.1 ttp -72.64 -38.86 67.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.307 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CD2' HD22 ' A' ' 42' ' ' LEU . 8.2 t80 -62.33 -25.18 67.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.733 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -80.41 -35.84 34.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.487 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' O ' ' A' ' 32' ' ' MET . 8.8 t -70.92 -30.41 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.458 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 67.7 38.83 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.716 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.8 m-20 -109.08 110.77 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.7 t -73.27 -25.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 77' ' ' LEU . . . -72.99 -25.87 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.519 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.98 -46.1 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.5 pp -61.95 -40.16 94.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.549 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.9 t -62.26 -43.98 98.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -51.73 56.41 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.131 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 48' ' ' LEU . 44.2 m-20 -61.74 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.939 HD11 HD13 ' A' ' 62' ' ' ILE . 10.5 mt -51.03 -42.52 60.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.9 mtpp -66.53 -49.17 67.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 45' ' ' ASP . 20.7 mt -51.84 -26.69 10.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.3 t -99.07 -27.57 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.372 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 50' ' ' ILE . 14.8 mt -102.83 23.42 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.0 m120 -47.45 -28.96 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -97.3 154.16 38.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.5 Cg_endo -67.35 -20.1 49.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.615 2.21 . . . . 0.0 112.87 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -38.31 90.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.312 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.94 10.54 18.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.729 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 53' ' ' PRO . 5.4 mt -52.04 -46.7 93.0 Favored Pre-proline 0 CA--C 1.533 0.317 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -43.58 -25.36 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.775 2.317 . . . . 0.0 113.732 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 62' ' ' ILE . 2.3 mt -56.08 -50.04 72.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 111.326 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.632 ' CE2' HG21 ' A' ' 50' ' ' ILE . 35.3 m-85 -54.8 -50.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -74.02 -28.57 61.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.529 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.9 -44.6 76.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.376 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 46' ' ' LEU . 3.7 mt -74.89 -35.5 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.374 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -43.33 -53.06 11.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 63' ' ' ARG . 88.1 Cg_exo -41.14 -53.75 2.87 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.674 2.25 . . . . 0.0 113.366 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.27 -24.71 59.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 62' ' ' ILE . 85.0 mt -67.99 128.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.4 140.54 8.32 Favored 'Trans proline' 0 CA--C 1.508 -0.804 0 C-N-CA 122.863 2.375 . . . . 0.0 113.105 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -50.16 -43.34 52.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.28 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -71.11 -41.66 70.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.298 0.57 . . . . 0.0 109.684 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.0 m170 -64.38 -29.01 70.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.239 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.65 -45.12 95.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.991 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -61.35 -54.68 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.845 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.78 -34.27 71.26 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.617 ' HE2' HD11 ' A' ' 42' ' ' LEU . 5.3 t80 -59.44 -33.63 71.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -42.48 62.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -66.31 -27.28 67.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.452 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 40' ' ' ALA . 5.9 mt -87.45 -28.11 22.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.892 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.422 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -47.33 -55.79 14.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 -179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 78' ' ' THR . 73.0 Cg_endo -79.24 -175.95 3.01 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.975 2.45 . . . . 0.0 112.408 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.86 142.74 50.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 60.92 43.22 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -62.95 -47.9 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.494 ' CD1' HG11 ' A' ' 5' ' ' VAL . 17.9 m-85 -60.0 -36.54 77.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.82 HD23 HD11 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -57.15 -52.16 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.671 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -60.18 -32.03 70.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.64 -58.09 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.39 67.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 110.903 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.82 HD11 HD23 ' B' ' 105' ' ' LEU . 82.8 mt -56.45 -54.58 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -34.34 77.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.47 -45.44 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 109.76 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 115' ' ' ILE . 44.1 t80 -69.28 -33.86 73.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.642 178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.92 -30.31 68.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.805 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.12 -34.89 29.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.874 HD12 ' HA ' ' B' ' 112' ' ' TYR . 33.3 mt -64.31 -33.85 65.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.6 48.02 1.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 mtt . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -148.11 31.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 -30.92 8.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -71.0 -31.92 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.605 HG21 ' HE1' ' B' ' 104' ' ' TYR . 45.7 t -52.45 -35.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.974 0.416 . . . . 0.0 110.254 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.72 -39.18 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.595 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -67.71 -39.18 84.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.3 -49.04 46.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.343 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.904 ' O ' HG23 ' A' ' 13' ' ' VAL . 78.7 t80 -62.22 -39.71 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -49.83 47.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.672 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 4.0 t-160 -59.79 -40.87 89.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.567 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.41 -46.53 88.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.117 179.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -53.49 -51.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 11' ' ' HIS . 4.1 p30 -73.21 -16.68 61.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.111 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -36.77 76.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.263 0.554 . . . . 0.0 110.095 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -93.42 -51.13 5.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.888 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.995 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.1 mp -65.85 -52.95 43.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.46 3.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 111.806 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.995 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t30 -107.18 -165.18 1.04 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -124.06 -51.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.32 74.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HB2' HG23 ' A' ' 17' ' ' ILE . 42.0 mt-10 -69.18 -46.79 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.667 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -64.18 -33.51 75.95 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.26 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -62.42 -47.9 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.727 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.6 t80 -67.16 -47.92 69.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.889 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 58' ' ' LEU . 2.2 tt -57.29 -42.5 81.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 0.8 OUTLIER -60.79 -34.36 74.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.64 -32.28 65.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.423 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.4 t -64.29 -54.31 32.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.38 -32.85 74.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.431 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -69.82 -38.58 76.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.678 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.876 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -76.25 -37.46 57.6 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.604 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.1 t80 -63.99 -32.4 73.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' B' ' 109' ' ' ILE . 64.4 t-80 -64.03 -39.76 94.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -62.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 32' ' ' MET . 9.9 t -65.79 -28.56 69.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.553 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 17.0 mmt 61.51 32.28 18.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.572 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 2.2 t70 -102.38 111.67 24.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.4 t -73.98 -24.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.216 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.85 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.608 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.97 -48.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 33' ' ' TYR . 2.3 pp -61.58 -38.25 86.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 39' ' ' VAL . 99.0 t -61.55 -41.41 90.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.438 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.17 -51.62 55.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.205 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.468 ' HA ' HD12 ' A' ' 48' ' ' LEU . 47.8 m-20 -60.67 -48.71 80.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.853 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.855 ' O ' HD12 ' A' ' 50' ' ' ILE . 10.1 mt -50.45 -42.73 54.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.585 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.91 -50.48 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 0.0 110.57 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.9 mt -52.55 -26.74 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.6 t -100.33 -27.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 46' ' ' LEU . 2.7 mp -109.99 27.44 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.447 0.642 . . . . 0.0 111.004 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -50.33 -26.24 4.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -95.63 155.98 37.96 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.621 ' O ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_endo -69.71 -21.86 33.15 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.679 2.253 . . . . 0.0 112.764 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -60.57 -36.64 78.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -87.99 10.48 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.624 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 53' ' ' PRO . 4.0 mt -44.68 -56.76 7.89 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.793 ' HG2' HD22 ' A' ' 16' ' ' LEU . 5.7 Cg_exo -38.26 -30.45 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.388 2.725 . . . . 0.0 113.348 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.777 HD12 ' CD2' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -56.63 -33.3 66.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.642 0.258 . . . . 0.0 111.321 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.69 -50.68 28.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 11.2 t0 -73.58 -22.1 60.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.06 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.525 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 58' ' ' LEU . 27.0 mt -75.15 -35.31 34.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 4.7 mtp180 -42.89 -51.91 11.99 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 85.4 Cg_exo -41.07 -53.75 2.83 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.806 2.337 . . . . 0.0 113.594 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -74.49 -26.22 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 62' ' ' ILE . 51.2 mt -64.92 134.37 96.04 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.786 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 82.3 Cg_exo -44.34 138.34 7.34 Favored 'Trans proline' 0 CA--C 1.509 -0.738 0 C-N-CA 122.736 2.291 . . . . 0.0 113.118 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.26 -37.93 38.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.343 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -73.11 -45.06 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.147 0.499 . . . . 0.0 109.718 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.3 m170 -64.6 -24.83 67.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.41 179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.18 -50.18 72.83 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.002 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.75 -53.96 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.103 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -57.64 -35.89 71.12 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.738 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.589 ' CD2' HG22 ' A' ' 43' ' ' VAL . 62.8 t80 -60.32 -33.74 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.24 -34.86 66.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.266 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -65.77 -34.61 78.58 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.7 mt -76.37 -39.96 52.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.0 p -67.64 141.91 95.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 161.12 40.08 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.509 2.14 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.72 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.531 ' HB2' HD12 ' B' ' 105' ' ' LEU . 22.0 p-10 -96.14 32.59 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -67.56 -37.81 83.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.605 ' HE1' HG21 ' A' ' 5' ' ' VAL . 9.0 m-85 -68.25 -31.35 70.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' B' ' 102' ' ' ASP . 10.3 mt -57.85 -52.2 66.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' B' ' 110' ' ' GLN . 2.0 ptt180 -62.34 -32.25 73.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' B' ' 106' ' ' ARG . 13.2 mt-10 -57.95 -58.14 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.57 69.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 34' ' ' HIS . 71.2 mt -57.17 -55.36 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' B' ' 106' ' ' ARG . 0.7 OUTLIER -63.38 -37.47 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.591 ' OE2' HD11 ' B' ' 115' ' ' ILE . 0.0 OUTLIER -52.19 -43.95 64.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.059 0.457 . . . . 0.0 109.909 179.328 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.83 ' HA ' HD12 ' B' ' 115' ' ' ILE . 57.5 t80 -70.2 -34.0 72.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.656 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -59.98 -31.23 69.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.819 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -81.99 -33.64 30.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.749 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' B' ' 112' ' ' TYR . 10.6 mt -72.05 -54.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.48 64.79 0.82 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 34.6 mttt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.939 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -149.27 69.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.1 -30.31 16.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -71.55 -31.87 67.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.1 t -52.18 -33.62 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.1 64.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.714 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -41.42 82.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.307 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -42.26 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.737 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 13' ' ' VAL . 50.0 t80 -64.58 -44.07 91.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.178 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -72.42 -45.99 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.805 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -63.88 -39.55 94.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.72 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.46 -54.73 42.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.36 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.3 t -53.35 -38.73 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.65 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.2 -26.18 61.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -69.59 -32.42 71.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.039 0.447 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -88.32 -50.9 6.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.057 -179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.913 HG22 ' H ' ' A' ' 19' ' ' ASN . 5.1 mp -86.46 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 66.3 3.66 2.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.649 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.913 ' H ' HG22 ' A' ' 17' ' ' ILE . 10.6 t30 -94.84 168.2 10.95 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.838 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.17 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -39.63 63.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.3 mm-40 -68.94 -46.96 66.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.4 ttmt -65.19 -33.12 75.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.17 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -46.69 87.38 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 63.6 t80 -67.41 -48.85 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.772 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.718 HD21 HD21 ' A' ' 58' ' ' LEU . 30.3 tp -57.2 -42.36 81.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 1.0 OUTLIER -61.14 -33.03 72.76 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.14 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -72.4 -33.17 66.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 42' ' ' LEU . 95.4 t -63.06 -54.31 35.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.707 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.61 -40.45 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.374 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -39.69 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.436 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.829 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -76.68 -32.64 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.046 179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.7 t80 -66.98 -26.4 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.663 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HB2' HD13 ' B' ' 109' ' ' ILE . 44.2 t-80 -80.69 -31.12 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -62.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.485 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 32' ' ' MET . 4.4 t -76.05 -22.5 55.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 7.2 mmt 62.27 38.54 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.674 ' HB3' HG23 ' A' ' 41' ' ' VAL . 4.2 m-20 -105.29 112.23 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.1 t -76.89 -24.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -27.25 60.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.3 t -78.87 -42.17 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.962 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.1 pp -65.56 -39.25 91.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 39' ' ' VAL . 57.7 t -64.49 -43.29 96.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.491 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.6 -52.61 50.87 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.07 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 3.2 m-20 -60.81 -44.61 96.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.413 . . . . 0.0 110.491 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.57 -39.63 50.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 78' ' ' THR . 1.5 mptm? -68.47 -49.67 58.13 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.91 -26.73 10.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.626 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 t -100.16 -27.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.443 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.799 HD11 HD22 ' A' ' 46' ' ' LEU . 23.3 mt -104.1 25.06 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 4.2 m-20 -49.51 -27.34 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.872 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.99 144.8 29.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.784 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.4 Cg_exo -57.35 -25.1 63.79 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 112.643 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t -56.67 -38.49 72.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.381 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.01 14.22 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.766 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.612 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.4 mt -51.34 -54.83 34.42 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.755 ' HG2' HD22 ' A' ' 16' ' ' LEU . 6.3 Cg_exo -35.45 -31.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.583 2.855 . . . . 0.0 113.766 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.066 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -54.0 -43.03 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.671 0.272 . . . . 0.0 111.363 -179.742 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 50' ' ' ILE . 16.5 m-85 -60.62 -50.71 72.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.317 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -74.88 -26.63 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.852 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.64 -48.34 66.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.484 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.066 HD11 HD22 ' A' ' 58' ' ' LEU . 9.8 mt -74.89 -35.01 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.123 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.563 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 5.6 ttm180 -43.05 -52.48 11.78 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.0 Cg_endo -51.98 -53.11 7.54 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.322 2.015 . . . . 0.0 113.073 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.56 -8.72 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.294 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 62' ' ' ILE . 10.9 mt -84.45 133.57 44.31 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.751 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 1.7 Cg_endo -45.08 138.42 9.17 Favored 'Trans proline' 0 CA--C 1.508 -0.775 0 C-N-CA 122.948 2.432 . . . . 0.0 112.62 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.3 mt -49.92 -45.72 51.28 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 113.733 -1.576 . . . . 0.0 111.55 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -56.32 20.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.11 0.481 . . . . 0.0 110.143 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.6 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 m170 -62.32 -23.19 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.606 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.06 -49.58 73.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.067 0.46 . . . . 0.0 109.914 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.45 -53.86 41.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.978 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.33 -35.48 71.95 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.67 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 43' ' ' VAL . 19.3 t80 -60.54 -33.66 72.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -33.22 65.6 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.364 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -65.69 -34.39 78.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -81.47 -33.07 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.619 HG22 ' HE3' ' A' ' 47' ' ' LYS . 62.6 p -98.61 98.72 6.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.18 140.38 53.55 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.425 2.084 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.49 164.35 12.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.812 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.66 58.98 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -138.77 -49.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -72.88 -53.58 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.773 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.81 HD12 HD11 ' B' ' 109' ' ' ILE . 2.9 mm? -57.11 -51.98 67.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -32.53 72.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.55 -58.08 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.56 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.81 HD11 HD12 ' B' ' 105' ' ' LEU . 82.0 mt -58.73 -55.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -33.98 77.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.724 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -40.45 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.741 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.5 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 1.9 t80 -72.39 -34.37 67.85 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.662 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.53 -32.04 69.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.1 0.476 . . . . 0.0 109.792 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -82.06 -34.2 29.55 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.863 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.633 HG22 ' HG3' ' B' ' 117' ' ' LYS . 6.1 mt -83.05 -68.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.87 33.12 19.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.806 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.633 ' HG3' HG22 ' B' ' 115' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.787 0.327 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.19 75.32 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 -46.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -59.36 -33.75 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.054 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.441 ' CG1' ' CD2' ' B' ' 104' ' ' TYR . 39.2 t -52.66 -38.34 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.423 . . . . 0.0 110.135 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -36.8 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.833 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -38.8 84.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -71.95 -49.5 36.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.831 ' O ' HG23 ' A' ' 13' ' ' VAL . 43.2 t80 -61.98 -39.52 92.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.385 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -73.35 -46.5 48.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -62.04 -42.96 99.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.724 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.77 -56.69 18.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.29 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 9' ' ' PHE . 49.2 t -53.44 -37.21 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.7 -28.22 62.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -69.6 -32.84 71.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.837 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.5 mt -89.63 -43.25 10.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.935 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.015 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.3 mp -92.69 -64.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.0 1.77 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.606 0.717 . . . . 0.0 111.067 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 1.015 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -90.15 -167.79 1.94 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.771 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.17 -55.58 1.86 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.13 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 0.0 111.235 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.49 -44.49 86.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -34.37 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.21 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.54 -50.61 71.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.009 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.7 t80 -67.27 -46.5 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.872 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.6 tt -57.4 -41.9 81.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.03 -33.87 73.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.43 -33.33 67.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.224 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 57.5 t -64.18 -54.47 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.799 0.333 . . . . 0.0 110.778 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -59.44 -39.33 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.07 0.462 . . . . 0.0 110.249 179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -40.06 76.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.516 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.596 ' O ' HG22 ' A' ' 36' ' ' THR . 2.9 mtp -73.22 -43.89 60.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.612 ' CE1' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.72 -18.26 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.984 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.637 ' HB2' HD13 ' B' ' 109' ' ' ILE . 58.5 t-80 -85.25 -40.46 16.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' MET . 1.5 t -76.85 -28.41 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.736 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.492 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 69.37 41.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.001 0.429 . . . . 0.0 110.756 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 41' ' ' VAL . 27.2 p30 -102.19 112.58 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.4 t -81.72 -23.36 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.69 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG21 ' OD2' ' A' ' 38' ' ' ASP . 77.2 t -79.05 -42.93 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.556 HD12 ' C ' ' A' ' 42' ' ' LEU . 1.2 pp -63.5 -40.66 97.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.588 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 39' ' ' VAL . 86.8 t -60.75 -43.42 95.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.915 0.388 . . . . 0.0 110.352 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.55 -47.08 92.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.096 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 50.4 m-20 -61.89 -49.7 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.529 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 62' ' ' ILE . 9.6 mt -50.46 -38.06 41.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.497 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' ASN . 3.7 mttp -67.51 -49.7 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.229 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.22 -26.88 12.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.532 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.25 -27.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.751 HD11 HD22 ' A' ' 46' ' ' LEU . 16.2 mt -104.99 25.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.374 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -47.5 -29.0 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.907 179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -98.9 153.18 37.95 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.647 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.2 Cg_endo -66.34 -20.11 55.38 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.859 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -37.89 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -87.89 12.31 13.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.676 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 5.9 mt -51.45 -53.73 46.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.3 Cg_exo -38.52 -28.22 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.449 2.766 . . . . 0.0 113.737 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.797 ' CD2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -53.82 -53.16 56.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.605 0.24 . . . . 0.0 111.068 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.597 ' CE2' HG21 ' A' ' 50' ' ' ILE . 37.6 m-85 -50.93 -42.48 59.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.474 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -71.56 -29.31 64.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.138 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.17 83.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.384 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.821 HG13 HD11 ' A' ' 46' ' ' LEU . 1.1 mm -75.23 -35.44 33.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.056 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.2 OUTLIER -43.71 -54.11 11.17 Favored Pre-proline 0 CA--C 1.536 0.413 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 82.4 Cg_exo -44.46 -54.08 4.35 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.742 2.295 . . . . 0.0 113.668 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD21 ' CE1' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -74.53 -26.38 59.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.73 0.3 . . . . 0.0 111.149 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.72 133.03 94.07 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.36 139.9 35.69 Favored 'Trans proline' 0 CA--C 1.506 -0.899 0 C-N-CA 122.778 2.319 . . . . 0.0 112.74 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.1 mt -50.22 -37.85 37.41 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.255 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -73.18 -45.03 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.293 0.568 . . . . 0.0 109.695 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.142 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.12 -43.1 99.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.919 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.2 t -63.0 -58.54 7.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.038 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.4 -35.04 69.52 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' HG22 ' A' ' 43' ' ' VAL . 58.2 t80 -59.72 -33.56 71.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -33.03 65.38 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.145 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -65.39 -34.25 77.87 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.671 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.01 -35.98 36.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 51.5 p -82.8 156.32 67.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 20.4 Cg_endo -60.71 150.05 84.45 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.586 2.191 . . . . 0.0 112.263 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.56 146.53 30.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.34 48.97 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -151.66 -45.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.441 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 2.5 m-85 -56.46 -38.02 71.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.068 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.857 HD12 HD11 ' B' ' 109' ' ' ILE . 3.0 mm? -59.85 -52.13 66.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -64.16 -32.09 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.986 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -58.43 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.857 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -44.75 61.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.857 HD11 HD12 ' B' ' 105' ' ' LEU . 71.3 mt -56.41 -51.37 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -64.25 -37.13 86.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.478 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -53.55 -41.46 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.1 t80 -71.36 -34.43 70.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.736 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -59.98 -31.0 69.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.734 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.727 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 112' ' ' TYR . 51.6 mt -69.81 -32.13 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.23 53.31 2.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mtp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.827 0.346 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.47 50.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -169.07 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -57.0 -31.95 65.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.573 HG11 ' HD1' ' B' ' 104' ' ' TYR . 38.3 t -52.41 -38.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.422 . . . . 0.0 110.192 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.56 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.644 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -36.06 79.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -70.96 -50.17 37.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.863 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.5 t80 -65.6 -36.26 83.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.175 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -72.56 -44.37 62.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.861 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.5 -44.42 96.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmmm -59.21 -53.72 55.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.407 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 9' ' ' PHE . 52.5 t -53.16 -37.29 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.83 -28.77 64.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.59 -32.67 71.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.099 0.476 . . . . 0.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 ' CG ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -89.44 -50.09 6.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.052 -179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB2' ' A' ' 19' ' ' ASN . 10.6 mm -85.37 -61.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.526 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 67.43 3.8 3.48 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.422 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.809 ' HB2' HG22 ' A' ' 17' ' ' ILE . 2.5 m-20 -102.08 166.83 10.4 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.983 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -100.72 -47.49 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.07 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -62.06 -45.9 91.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.658 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.214 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -61.46 -52.42 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.034 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.26 -44.74 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.735 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 HG11 ' A' ' 13' ' ' VAL . 18.0 tp -57.36 -42.95 83.04 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.7 m-85 -61.17 -32.22 71.95 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.36 -33.08 67.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.221 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 25' ' ' TYR . 55.9 t -64.96 -54.35 30.66 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.732 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.91 -37.45 82.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.329 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -64.75 -44.2 90.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.893 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -68.15 -37.31 80.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.542 ' OH ' HG22 ' A' ' 39' ' ' VAL . 9.3 t80 -61.08 -37.47 82.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.616 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HB2' HD13 ' B' ' 109' ' ' ILE . 20.9 t-80 -71.05 -31.31 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -62.15 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.341 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 32' ' ' MET . 4.6 t -71.89 -26.56 62.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.543 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.18 37.17 9.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 110.674 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.765 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -112.7 111.13 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.995 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 t -68.01 -24.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.06 -24.32 59.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.687 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.765 HG23 ' HB3' ' A' ' 38' ' ' ASP . 61.5 t -78.95 -43.03 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 42' ' ' LEU . 1.4 pp -66.45 -39.46 88.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 39' ' ' VAL . 55.4 t -65.87 -41.73 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.603 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.01 -51.97 56.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.072 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.62 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.529 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.746 HD22 HD11 ' A' ' 50' ' ' ILE . 9.3 mt -51.32 -41.76 60.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.657 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' ASN . 18.0 mttt -66.14 -50.32 64.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.955 0.407 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.8 -26.77 10.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.45 -27.57 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.255 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.746 HD11 HD22 ' A' ' 46' ' ' LEU . 18.8 mt -101.94 22.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.236 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' LYS . 23.8 p30 -46.12 -29.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.104 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.22 142.64 24.97 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 46.8 Cg_exo -56.23 -26.16 59.62 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.563 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -59.92 -33.12 71.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.315 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.6 ' C ' HG23 ' A' ' 50' ' ' ILE . 4.2 mtt85 -87.89 12.03 14.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.676 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 10.5 mt -53.06 -54.68 41.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.1 Cg_exo -38.99 -27.77 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.42 2.747 . . . . 0.0 113.745 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.75 -33.53 56.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.625 0.25 . . . . 0.0 111.444 -179.659 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 50' ' ' ILE . 20.3 m-85 -68.69 -50.86 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.076 0.465 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 1.3 t70 -73.34 -23.55 60.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.512 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.78 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.529 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.904 HD11 HD22 ' A' ' 58' ' ' LEU . 13.1 mt -75.3 -35.38 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -43.12 -52.59 11.87 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.584 0.586 . . . . 0.0 112.584 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 91.0 Cg_exo -41.16 -53.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.797 2.331 . . . . 0.0 113.44 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 HD12 ' B' ' 105' ' ' LEU . 0.5 OUTLIER -74.18 -25.73 59.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG13 HG22 ' A' ' 62' ' ' ILE . 60.0 mt -65.91 128.28 93.71 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.752 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.1 Cg_endo -47.98 161.55 0.35 Allowed 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 122.693 2.262 . . . . 0.0 112.741 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -28.09 66.48 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 113.781 -1.554 . . . . 0.0 111.968 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -78.98 -47.83 15.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.076 0.465 . . . . 0.0 110.052 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 54.2 m170 -66.66 -25.21 66.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.22 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -61.23 -49.47 77.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 110.129 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.84 -53.32 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -33.85 70.11 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 43' ' ' VAL . 89.5 t80 -62.34 -34.25 76.29 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.15 -35.99 66.58 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.03 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.85 -31.79 72.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.791 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.7 -41.3 45.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.016 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.52 155.67 7.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -58.02 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.597 2.198 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.78 0.324 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -158.95 164.51 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 59.78 53.12 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.794 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.51 -44.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.573 ' HD1' HG11 ' A' ' 5' ' ' VAL . 24.3 m-85 -53.76 -52.56 59.81 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.119 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -58.56 -52.18 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.787 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -59.89 -34.02 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.12 -58.19 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.42 -41.22 73.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.603 HD11 HD23 ' B' ' 105' ' ' LEU . 68.5 mt -56.56 -55.44 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -63.34 -35.15 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.0 -43.03 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.073 0.463 . . . . 0.0 109.808 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.855 ' HA ' HD12 ' B' ' 115' ' ' ILE . 4.7 t80 -70.12 -35.56 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.789 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.63 -29.05 67.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.72 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -81.9 -36.35 28.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.798 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' B' ' 112' ' ' TYR . 46.7 mt -60.33 -38.12 76.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 54.36 81.22 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtp . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.825 0.345 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.24 31.75 21.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -95.48 -32.16 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.11 70.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.51 -35.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.253 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.75 -36.3 67.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.823 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -36.31 80.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.97 -49.15 39.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.284 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 51.0 t80 -63.17 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.086 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -73.17 -50.01 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 6.6 t-160 -60.89 -43.0 99.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 4.3 mmtp -59.27 -57.96 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 55.9 t -53.62 -37.56 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -72.95 -28.79 62.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE2' ' NE2' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -69.7 -30.61 68.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 110.618 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -93.25 -49.23 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.302 -179.281 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.014 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.2 mp -73.79 -51.56 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 55.96 3.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 0.0 111.95 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 1.014 ' H ' HG22 ' A' ' 17' ' ' ILE . 24.8 m120 -110.45 159.33 17.59 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.818 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -93.2 -45.29 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.12 88.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -65.3 -46.82 78.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.694 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -62.3 -31.95 72.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.236 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -51.05 69.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.887 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.48 ' O ' HG23 ' A' ' 29' ' ' VAL . 72.1 t80 -67.19 -45.71 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.577 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 HG11 ' A' ' 13' ' ' VAL . 43.9 tp -57.48 -41.69 81.18 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.492 ' CG ' ' CD2' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.33 -33.54 73.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.22 -33.17 67.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.932 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 ' CG1' HD23 ' A' ' 42' ' ' LEU . 99.8 t -62.11 -51.81 67.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.484 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.35 -40.56 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.532 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -64.97 -37.55 88.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -71.99 -47.09 54.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.787 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.857 ' CG ' HD12 ' A' ' 42' ' ' LEU . 14.0 t80 -56.15 -42.13 76.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -69.46 -30.18 68.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.983 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -77.99 -57.81 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.985 0.422 . . . . 0.0 111.372 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 32' ' ' MET . 2.7 t -77.59 -22.83 50.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.445 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.409 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 12.5 mmt 61.02 47.95 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.708 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.6 t0 -124.66 113.74 18.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.849 ' O ' HG23 ' A' ' 43' ' ' VAL . 40.8 t -65.51 -23.73 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.963 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.58 -23.99 62.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.011 0.434 . . . . 0.0 110.197 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 38' ' ' ASP . 67.2 t -75.85 -54.12 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.514 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.857 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -55.23 -41.07 71.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.634 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 39' ' ' VAL . 43.2 t -65.35 -49.22 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -53.33 46.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.374 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 29' ' ' VAL . 13.5 m-20 -62.1 -42.62 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.786 0.327 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -51.95 -42.43 62.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ASN . 27.0 mmtt -66.02 -50.52 63.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.381 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 45' ' ' ASP . 42.1 mt -51.83 -26.03 9.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.675 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -99.3 -27.73 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.743 HD11 HD22 ' A' ' 46' ' ' LEU . 17.3 mt -104.31 25.11 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -47.03 -28.84 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.932 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -97.7 152.49 38.17 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.695 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' O ' HD12 ' A' ' 56' ' ' LEU . 43.1 Cg_endo -67.16 -18.87 51.21 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.775 2.317 . . . . 0.0 112.808 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -66.83 -38.85 87.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.247 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' C ' HG23 ' A' ' 50' ' ' ILE . 7.1 mtt180 -87.83 9.8 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.714 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.692 HD23 ' HE2' ' A' ' 59' ' ' PHE . 6.7 mt -53.3 -45.76 98.24 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 81.8 Cg_exo -43.05 -24.74 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.764 2.31 . . . . 0.0 113.639 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.985 HD22 HD11 ' A' ' 62' ' ' ILE . 3.6 mt -53.89 -44.93 70.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.368 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.692 ' HE2' HD23 ' A' ' 56' ' ' LEU . 34.1 m-85 -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 111.367 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 9.7 t70 -74.86 -28.56 60.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.25 -46.66 69.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.622 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.985 HD11 HD22 ' A' ' 58' ' ' LEU . 12.1 mt -74.92 -35.66 36.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -43.84 -54.06 11.58 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -178.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.457 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.2 Cg_exo -43.98 -53.11 4.89 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.131 2.554 . . . . 0.0 113.964 -179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -73.33 -7.0 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -86.16 141.97 35.55 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.954 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.62 137.6 1.62 Allowed 'Trans proline' 0 CA--C 1.509 -0.728 0 C-N-CA 122.895 2.397 . . . . 0.0 113.233 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.11 -25.02 3.08 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.695 -1.593 . . . . 0.0 111.732 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -88.64 -34.99 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 51.4 m170 -75.34 -31.17 60.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.934 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' NE2' HD23 ' A' ' 68' ' ' LEU . 3.9 pt20 -63.85 -40.99 97.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.053 0.454 . . . . 0.0 109.808 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.5 t -65.56 -57.71 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.971 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -58.17 -34.65 70.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.7 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 10.0 t80 -61.24 -33.79 74.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.05 -34.15 66.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.094 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -65.89 -31.69 72.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.593 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.01 -39.28 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.01 151.54 67.12 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 -160.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.617 2.211 . . . . 0.0 112.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -79.19 170.64 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.07 32.95 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -110.2 -38.25 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -65.02 -48.89 72.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -57.13 -52.15 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.747 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -57.04 -32.27 66.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -58.1 9.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.17 83.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.9 mt -57.12 -55.06 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.578 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -66.07 -33.32 75.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.39 -43.84 71.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.068 0.461 . . . . 0.0 109.934 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.637 ' HA ' HD12 ' B' ' 115' ' ' ILE . 13.6 t80 -72.26 -34.32 68.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.616 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.92 -31.63 71.15 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -82.08 -32.32 30.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.836 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.9 mt -75.44 -35.01 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.44 38.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptm . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.13 106.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.793 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -152.18 -46.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -60.98 -32.06 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.57 HG11 ' HD1' ' B' ' 104' ' ' TYR . 41.0 t -52.49 -37.13 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.136 0.493 . . . . 0.0 110.217 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.88 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.8 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -39.54 84.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.82 -47.02 56.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.8 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.7 t80 -66.79 -35.65 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.24 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -74.39 -45.5 46.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.665 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -65.77 -42.61 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.784 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.8 mmtm -59.35 -57.6 12.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.423 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 9' ' ' PHE . 58.5 t -53.4 -37.26 28.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.811 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.56 -31.79 70.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.138 0.494 . . . . 0.0 110.633 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 57' ' ' PRO . 0.5 OUTLIER -93.26 -34.93 13.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.054 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.912 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.9 mp -95.47 -67.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.969 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.6 3.41 1.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.335 0.588 . . . . 0.0 112.023 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.912 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 m120 -108.03 126.51 52.81 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.667 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.95 -46.01 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.92 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HB2' HG23 ' A' ' 17' ' ' ILE . 12.9 mt-10 -64.5 -45.36 87.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.478 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.22 -31.93 73.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.091 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.99 -51.71 66.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.018 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 t80 -67.22 -46.35 74.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 26' ' ' LEU . 2.0 tt -57.43 -41.19 79.97 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.5 m-85 -60.5 -34.18 73.69 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.4 -32.84 66.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.304 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 25' ' ' TYR . 61.4 t -65.62 -54.44 28.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.25 -37.42 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.322 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -44.71 85.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.879 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.12 -40.95 86.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.436 179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.792 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.63 -38.54 78.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' HB2' HD13 ' B' ' 109' ' ' ILE . 18.6 t60 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -56.22 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.184 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 32' ' ' MET . 2.1 t -77.57 -26.98 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.296 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.9 40.0 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.7 t70 -117.77 112.44 20.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 t -68.16 -23.35 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.23 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 38' ' ' ASP . 88.4 t -78.58 -45.7 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.1 pp -63.42 -39.2 93.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.2 t -64.74 -42.67 95.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.676 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -52.69 50.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.992 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.95 -43.17 99.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.283 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.753 HD22 HD11 ' A' ' 50' ' ' ILE . 10.2 mt -52.25 -36.82 53.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.408 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -69.19 -50.41 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.123 0.487 . . . . 0.0 110.244 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.07 -26.57 11.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.722 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.8 t -100.46 -28.27 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.753 HD11 HD22 ' A' ' 46' ' ' LEU . 31.6 mt -104.48 25.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.8 p-10 -48.11 -28.11 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.001 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.84 152.02 37.88 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.6 Cg_endo -66.64 -18.86 54.14 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.731 2.287 . . . . 0.0 112.752 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.9 m -64.53 -37.78 88.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.219 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' HG23 ' A' ' 50' ' ' ILE . 26.3 mtt180 -88.05 11.65 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.635 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 53' ' ' PRO . 6.2 mt -53.57 -45.85 98.45 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.7 Cg_exo -41.95 -28.27 0.76 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.695 2.263 . . . . 0.0 113.482 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.893 HD22 HD11 ' A' ' 62' ' ' ILE . 1.9 mt -55.35 -42.51 73.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -60.77 -46.93 88.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.052 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -75.08 -29.39 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.022 0.439 . . . . 0.0 110.795 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.69 -48.5 66.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.663 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.893 HD11 HD22 ' A' ' 58' ' ' LEU . 14.4 mt -74.61 -34.74 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.117 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.65 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.04 -54.06 9.58 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 19.2 Cg_endo -59.17 -52.98 4.03 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.349 2.033 . . . . 0.0 113.276 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -59.47 -20.6 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.599 0.238 . . . . 0.0 111.63 -179.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -81.08 144.11 54.07 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.652 0.263 . . . . 0.0 111.194 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 99.7 Cg_exo -42.41 139.81 2.78 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 C-N-CA 122.941 2.427 . . . . 0.0 113.291 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.589 HD23 HE21 ' A' ' 71' ' ' GLN . 5.1 mt -49.98 -36.28 27.61 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.22 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -73.86 -46.2 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.323 0.583 . . . . 0.0 109.578 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 67' ' ' PRO . 11.9 m170 -63.71 -27.71 69.4 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.109 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.589 HE21 HD23 ' A' ' 68' ' ' LEU . 7.2 mt-30 -58.64 -54.16 50.18 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.53 -52.55 58.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.131 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.74 -35.12 68.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.738 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.511 ' HE2' HD11 ' A' ' 42' ' ' LEU . 9.8 t80 -61.02 -33.86 73.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.24 -34.66 66.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.329 178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.62 -31.32 72.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.86 -33.3 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.477 HG21 ' CE1' ' A' ' 74' ' ' TYR . 25.6 p -92.26 133.74 29.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.33 104.71 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.445 2.096 . . . . 0.0 112.197 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.899 0.38 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -106.77 154.17 21.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.29 46.21 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -109.43 -41.8 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.57 ' HD1' HG11 ' A' ' 5' ' ' VAL . 98.5 m-85 -59.62 -37.76 79.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.677 HD23 HD11 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -59.28 -52.04 67.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -61.8 -33.56 74.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.31 -58.2 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.59 -46.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.677 HD11 HD23 ' B' ' 105' ' ' LEU . 79.0 mt -56.55 -55.43 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -63.99 -35.42 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -54.18 -42.03 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.474 ' CE1' ' CE2' ' A' ' 27' ' ' TYR . 16.7 t80 -72.43 -33.9 67.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.606 178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.36 -32.12 70.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.721 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -82.08 -32.97 30.05 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.569 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.6 -73.01 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 55.03 94.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.316 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.788 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.801 0.334 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -63.81 173.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER 68.36 -58.21 0.47 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -31.87 34.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.652 0.263 . . . . 0.0 111.358 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' B' ' 104' ' ' TYR . 44.6 t -52.31 -37.48 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.277 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 -35.06 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.733 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.04 83.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.71 -43.08 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.867 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.1 t80 -63.27 -44.97 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.294 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -72.3 -45.45 59.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -61.6 -41.31 97.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.1 mmtp -60.94 -53.66 54.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.428 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 9' ' ' PHE . 41.5 t -53.25 -37.51 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.75 -28.54 64.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -31.96 70.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.128 0.489 . . . . 0.0 110.311 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 1.3 mt -88.37 -51.97 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.159 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.891 HG22 ' HB2' ' A' ' 19' ' ' ASN . 7.1 mm -86.09 -58.71 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.373 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 66.2 3.75 2.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.571 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.891 ' HB2' HG22 ' A' ' 17' ' ' ILE . 1.5 m-20 -99.14 178.74 4.82 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.737 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -111.99 -46.96 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.52 85.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.047 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.579 ' HB2' HG21 ' A' ' 17' ' ' ILE . 2.1 mp0 -67.27 -46.95 72.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.521 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -63.29 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.98 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -62.01 -50.76 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.893 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.5 t80 -67.27 -46.17 74.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.542 ' CD2' HD11 ' A' ' 30' ' ' LEU . 6.7 tt -57.38 -42.04 81.37 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 2.0 m-85 -61.91 -32.47 72.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -33.48 67.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.161 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 25' ' ' TYR . 58.8 t -63.38 -54.39 33.38 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 CA-C-O 120.873 0.368 . . . . 0.0 110.641 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 26' ' ' LEU . 1.6 mt -62.79 -33.06 74.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.134 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -65.34 -40.77 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -77.76 -31.63 52.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.184 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' OH ' HG22 ' A' ' 39' ' ' VAL . 15.2 t80 -66.05 -31.37 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.419 ' O ' ' HE2' ' A' ' 37' ' ' MET . 41.3 t-80 -68.94 -34.85 76.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -55.3 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 32' ' ' MET . 10.2 t -75.67 -30.18 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.54 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.419 ' HE2' ' O ' ' A' ' 34' ' ' HIS . 6.7 mmt 62.19 41.15 10.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.609 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 41' ' ' VAL . 87.9 m-20 -111.61 110.58 21.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.798 ' O ' HG23 ' A' ' 43' ' ' VAL . 42.2 t -66.3 -24.58 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.76 -25.71 59.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' ASP . 50.1 t -78.97 -45.54 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.92 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 74' ' ' TYR . 1.3 pp -64.34 -39.4 93.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.4 t -67.76 -40.93 84.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.445 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.5 -54.39 36.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.082 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.574 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -51.3 -37.51 47.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.701 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASN . 2.4 mttt -69.27 -49.79 52.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.98 -27.2 12.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.609 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -99.61 -27.84 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.513 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 50' ' ' ILE . 41.6 mt -102.54 23.87 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' LYS . 14.1 t30 -48.57 -27.54 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.106 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 8.5 mt-10 -96.26 142.57 24.75 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.749 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 31.8 Cg_exo -58.51 -18.96 42.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.531 2.154 . . . . 0.0 112.76 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -38.52 90.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.399 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -87.87 8.3 26.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.79 -179.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 6.6 mt -50.19 -53.44 44.07 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.0 Cg_exo -36.18 -30.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.49 2.793 . . . . 0.0 113.746 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.023 HD22 HD11 ' A' ' 62' ' ' ILE . 1.5 mt -53.76 -44.92 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 50' ' ' ILE . 47.0 m-85 -57.9 -50.7 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.252 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -74.41 -25.13 59.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.19 -50.5 53.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.716 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.023 HD11 HD22 ' A' ' 58' ' ' LEU . 6.0 mt -75.01 -35.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -43.6 -54.35 10.46 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.509 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 86.8 Cg_exo -46.87 -53.02 6.76 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.942 2.428 . . . . 0.0 113.515 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.0 -25.57 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER -71.08 139.68 85.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.187 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -37.68 137.09 0.41 Allowed 'Trans proline' 0 CA--C 1.509 -0.752 0 C-N-CA 123.433 2.755 . . . . 0.0 113.213 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.4 mt -50.19 -37.84 37.05 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.628 -1.623 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -71.78 -45.51 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 0.0 109.864 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 33.4 m170 -66.24 -25.11 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.199 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.17 -52.84 63.15 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.66 -50.51 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.899 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.6 -36.33 73.85 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' HE2' HD11 ' A' ' 42' ' ' LEU . 10.9 t80 -58.05 -33.67 69.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -73.01 -48.79 33.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.095 178.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -66.51 -16.83 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.531 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.8 mt -99.02 -43.19 6.78 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.584 ' HB ' ' CD ' ' A' ' 79' ' ' PRO . 3.0 m -87.2 -74.72 0.05 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.584 ' CD ' ' HB ' ' A' ' 78' ' ' THR . 69.7 Cg_endo -74.02 -1.45 10.89 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.425 2.083 . . . . 0.0 112.737 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.827 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.78 21.07 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.156 0.503 . . . . 0.0 111.188 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.69 27.28 9.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -95.86 -34.99 11.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.689 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.499 ' CD2' HG11 ' A' ' 5' ' ' VAL . 81.6 m-85 -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 105' ' ' LEU . 3.3 mm? -59.02 -52.07 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.803 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -32.32 71.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -58.0 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.15 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.5 mt -57.66 -55.46 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.27 -34.55 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.765 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.69 -41.25 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.112 0.482 . . . . 0.0 109.834 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.707 ' HA ' HD12 ' B' ' 115' ' ' ILE . 1.9 t80 -72.03 -33.91 68.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -31.3 69.67 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.706 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -82.16 -34.63 29.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.56 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt -70.05 -34.41 59.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.87 54.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.847 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.823 0.345 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.33 86.16 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.48 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -73.42 -31.97 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' B' ' 104' ' ' TYR . 40.0 t -52.54 -33.97 18.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.074 0.464 . . . . 0.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 108' ' ' ALA . . . -72.74 -38.71 67.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.583 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -67.68 -36.19 80.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.731 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -46.71 50.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.588 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.7 t80 -63.54 -40.07 96.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.71 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -62.92 -39.57 94.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 21.5 mmtt -61.81 -52.22 65.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 9' ' ' PHE . 63.4 t -53.42 -38.55 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.606 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.16 -27.81 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.108 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -31.27 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.003 0.43 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -92.87 -48.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.195 -179.376 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.922 HG22 ' H ' ' A' ' 19' ' ' ASN . 4.7 mp -90.08 -58.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.83 0.6 3.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.863 0.839 . . . . 0.0 110.058 -178.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.922 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.5 t-20 -95.86 169.31 10.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.495 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 96.3 m-20 -103.77 -47.27 4.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.275 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.45 -37.65 75.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.398 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HB2' HG21 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.06 -47.28 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.005 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.0 ptpt -66.54 -29.33 69.39 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -49.57 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.631 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' VAL . 82.4 t80 -67.2 -47.2 71.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.41 -39.26 75.78 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD2' ' CZ ' ' B' ' 112' ' ' TYR . 1.9 m-85 -61.59 -33.94 74.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -72.32 -35.7 68.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.071 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.753 ' CG1' HD23 ' A' ' 42' ' ' LEU . 28.3 t -63.31 -45.89 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD11 ' CZ ' ' A' ' 9' ' ' PHE . 5.3 mt -63.23 -41.02 99.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.965 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -55.15 -40.3 70.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.324 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -66.04 -49.19 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.339 179.441 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.618 ' CG ' HD12 ' A' ' 42' ' ' LEU . 61.7 t80 -56.25 -24.94 45.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.491 ' HB2' HD13 ' B' ' 109' ' ' ILE . 48.5 t-80 -73.94 -47.67 35.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -62.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 32' ' ' MET . 2.0 t -77.25 -31.07 54.74 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.6 mmt 63.86 49.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.827 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.561 ' OD2' HG21 ' A' ' 41' ' ' VAL . 15.4 p30 -105.76 108.97 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.56 -27.06 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.96 -30.47 67.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.473 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.561 HG21 ' OD2' ' A' ' 38' ' ' ASP . 86.5 t -79.0 -44.6 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.753 HD23 ' CG1' ' A' ' 29' ' ' VAL . 1.0 OUTLIER -56.29 -43.06 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.679 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 39' ' ' VAL . 31.4 t -63.94 -50.04 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.03 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.47 -52.98 41.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.234 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.65 -43.03 98.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.426 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 62' ' ' ILE . 9.4 mt -52.63 -35.55 54.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.47 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ASN . 23.8 mmtp -70.78 -50.55 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.315 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.86 -26.73 10.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.618 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.63 -27.75 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.425 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.743 ' O ' HG22 ' A' ' 50' ' ' ILE . 45.4 mt -103.62 24.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -47.01 -28.28 1.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.019 179.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.08 155.85 36.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.695 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.2 Cg_endo -68.94 -22.74 35.5 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.602 2.202 . . . . 0.0 112.823 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -61.1 -35.96 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' C ' HG23 ' A' ' 50' ' ' ILE . 1.7 mpt_? -88.14 14.26 9.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.713 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HE2' ' A' ' 59' ' ' PHE . 7.5 mt -56.89 -46.71 99.83 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 90.8 Cg_exo -43.92 -25.81 1.17 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.849 2.366 . . . . 0.0 113.58 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -53.89 -48.27 70.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.662 ' HE2' HD23 ' A' ' 56' ' ' LEU . 12.6 m-85 -52.91 -50.78 63.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -74.31 -24.77 59.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 179.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.64 59.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.567 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.841 HD12 HD11 ' A' ' 46' ' ' LEU . 32.2 mt -75.06 -35.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -54.02 9.93 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 93.0 Cg_exo -42.3 -53.68 3.51 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.816 2.344 . . . . 0.0 113.431 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -74.19 -26.44 60.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.672 HG13 HG22 ' A' ' 62' ' ' ILE . 45.4 mt -67.2 130.31 93.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.7 Cg_exo -40.28 138.93 1.16 Allowed 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.071 2.514 . . . . 0.0 112.885 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.1 mt -49.96 -45.67 51.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.57 -1.65 . . . . 0.0 111.645 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.32 83.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.115 0.483 . . . . 0.0 110.185 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.8 m170 -67.58 -26.74 66.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -62.67 -46.76 86.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.032 0.444 . . . . 0.0 109.828 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.17 -55.6 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.945 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.7 mt-10 -58.4 -34.81 71.14 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.642 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.08 -33.42 72.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -72.69 -39.18 67.25 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.188 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -66.42 -24.71 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.251 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' GLU . 3.1 mt -89.36 -30.48 18.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.806 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.431 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -45.58 -58.64 5.66 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.623 -179.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 78' ' ' THR . 65.8 Cg_endo -75.41 -172.36 1.27 Allowed 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.905 2.404 . . . . 0.0 112.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.42 159.28 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t0 59.41 43.49 16.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 tpt85 -144.23 -45.24 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.619 ' CD2' HG21 ' A' ' 5' ' ' VAL . 82.2 m-85 -69.85 -31.03 68.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.599 ' HG ' HD12 ' B' ' 109' ' ' ILE . 40.2 tp -65.65 -52.21 53.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.98 -32.21 70.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -57.62 -58.18 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 6' ' ' ALA . . . -70.01 -41.01 74.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.599 HD12 ' HG ' ' B' ' 105' ' ' LEU . 11.9 mt -56.37 -55.52 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.885 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.59 -35.87 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.598 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -43.48 66.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.115 0.483 . . . . 0.0 109.866 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.754 ' HA ' HD12 ' B' ' 115' ' ' ILE . 37.8 t80 -71.07 -33.77 70.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.563 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -60.34 -31.16 70.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.754 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.66 30.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' B' ' 112' ' ' TYR . 11.8 mt -72.76 -36.09 51.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.947 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.0 35.34 1.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.984 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 5' ' ' VAL . 3.0 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.764 0.316 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -98.43 32.0 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 -47.4 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -64.29 -31.75 73.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' B' ' 104' ' ' TYR . 39.9 t -52.49 -34.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 7.9 mtm180 -67.91 -41.22 83.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.533 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -31.82 65.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.6 t80 -75.98 -41.2 52.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 109.996 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -41.35 60.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.597 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 14.7 m170 -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.692 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 8.2 mmtp -59.24 -57.87 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 9' ' ' PHE . 46.3 t -53.32 -37.65 29.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.689 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.09 -30.93 71.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.569 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -32.5 71.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.15 0.5 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 57' ' ' PRO . 2.9 mt -82.95 -50.86 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.244 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -76.12 -56.93 7.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.0 111.669 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 65.1 4.23 2.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.359 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.4 t30 -110.16 -171.46 1.84 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -122.6 -47.17 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.39 88.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' OE1' HG23 ' A' ' 17' ' ' ILE . 19.0 mt-10 -66.38 -46.89 75.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.624 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 16.1 ttmt -63.82 -31.56 72.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.188 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.05 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.1 t80 -67.27 -45.69 75.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.759 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 58' ' ' LEU . 1.9 tp -57.46 -44.14 84.59 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -60.06 -33.37 71.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 177.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.4 -32.83 66.71 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.155 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 25' ' ' TYR . 43.8 t -69.78 -47.38 70.6 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.548 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.0 -33.78 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -46.33 75.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.543 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' THR . 10.7 ptm -69.61 -33.04 72.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.453 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.557 ' CD2' HD22 ' A' ' 42' ' ' LEU . 2.0 t80 -62.01 -43.01 99.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.527 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -72.65 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 32' ' ' MET . 5.0 t -77.57 -23.94 49.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.225 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.32 37.37 4.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.897 0.38 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.699 ' HB3' HG23 ' A' ' 41' ' ' VAL . 9.7 m-20 -109.71 110.71 21.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 43' ' ' VAL . 30.5 t -72.16 -25.46 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.045 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.14 60.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 38' ' ' ASP . 58.9 t -78.98 -45.99 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 33' ' ' TYR . 1.6 pp -63.19 -38.91 93.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.573 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 39' ' ' VAL . 60.8 t -63.48 -43.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.598 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.35 -55.32 31.38 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.162 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.451 ' HB2' HG11 ' A' ' 29' ' ' VAL . 3.1 m-20 -59.7 -43.11 94.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.776 HD22 HD11 ' A' ' 50' ' ' ILE . 9.8 mt -50.33 -43.58 54.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -65.86 -48.81 70.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.77 -27.12 11.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.469 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 t -98.8 -28.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.346 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.776 HD11 HD22 ' A' ' 46' ' ' LEU . 14.9 mt -101.7 23.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.7 p30 -46.94 -28.72 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.972 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 23.3 mm-40 -98.56 140.97 22.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 43.6 Cg_exo -56.79 -23.0 47.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.638 2.225 . . . . 0.0 112.633 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -58.99 -36.42 74.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.488 ' CB ' HG23 ' A' ' 50' ' ' ILE . 38.2 mtt85 -87.94 16.67 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.808 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 14.0 mt -52.98 -47.38 95.78 Favored Pre-proline 0 CA--C 1.532 0.271 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 16' ' ' LEU . 85.9 Cg_exo -42.73 -28.98 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.76 2.306 . . . . 0.0 113.343 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -57.06 -33.57 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 111.148 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CE1' HD13 ' A' ' 50' ' ' ILE . 22.0 m-85 -71.09 -46.74 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.8 m-20 -75.19 -27.78 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.79 -50.83 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD22 ' A' ' 58' ' ' LEU . 15.1 mt -74.8 -34.6 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.254 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.594 ' O ' HG22 ' A' ' 66' ' ' ILE . 31.6 ttt180 -43.6 -52.88 13.08 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 15.0 Cg_endo -57.9 -53.07 4.81 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.511 2.14 . . . . 0.0 113.529 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -67.41 -10.61 52.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.212 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -85.17 145.01 42.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 110.905 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CG1' ' A' ' 66' ' ' ILE . 96.8 Cg_exo -42.3 138.4 3.19 Favored 'Trans proline' 0 CA--C 1.508 -0.784 0 C-N-CA 122.861 2.374 . . . . 0.0 113.188 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.12 -42.99 51.5 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 113.572 -1.649 . . . . 0.0 111.302 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -72.2 -37.9 69.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 109.705 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 34.6 m170 -67.25 -26.18 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.482 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.1 mt-30 -60.81 -50.89 71.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.144 0.497 . . . . 0.0 109.958 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.53 -52.59 59.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.892 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.47 -33.7 70.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.698 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.642 ' CE1' HG22 ' A' ' 43' ' ' VAL . 53.9 t80 -61.11 -33.55 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.73 -40.43 66.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.133 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.33 -26.17 67.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt -88.29 -29.36 20.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.82 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.442 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -46.04 -56.53 10.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.54 -179.563 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 78' ' ' THR . 74.3 Cg_endo -77.45 161.86 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.854 2.369 . . . . 0.0 112.293 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.826 0.346 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 -178.98 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.68 28.2 17.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -89.79 -34.75 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.677 ' HD2' HG11 ' A' ' 5' ' ' VAL . 25.1 m-85 -72.8 -34.51 66.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.2 -50.52 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.58 -34.41 69.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -58.06 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.72 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.02 -37.38 84.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.037 0.446 . . . . 0.0 110.683 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.85 -55.46 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.812 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -35.23 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.729 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.01 -43.61 70.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.138 0.494 . . . . 0.0 109.79 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 56.3 t80 -70.3 -33.83 72.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.537 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -59.75 -30.52 68.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.751 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -82.02 -35.26 29.03 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.743 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 27.9 mt -70.62 -35.76 62.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.37 53.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.914 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mmt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -160.95 124.59 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -47.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.53 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG21 ' HE1' ' B' ' 104' ' ' TYR . 44.4 t -52.32 -33.49 17.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.07 0.462 . . . . 0.0 110.251 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -40.55 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.67 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -67.76 -39.13 84.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.731 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -72.53 -36.83 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.271 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.3 t80 -69.34 -43.66 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.19 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -43.06 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -61.03 -45.44 94.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.55 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.21 -53.26 60.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 179.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 9' ' ' PHE . 51.1 t -53.39 -37.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.545 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -72.14 -27.47 62.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -69.74 -33.68 72.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.061 0.458 . . . . 0.0 110.568 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -91.54 -47.04 7.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.977 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.948 HG22 ' H ' ' A' ' 19' ' ' ASN . 1.5 mp -81.76 -65.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 62.53 3.4 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.334 0.588 . . . . 0.0 111.892 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.948 ' H ' HG22 ' A' ' 17' ' ' ILE . 7.4 m-20 -107.37 157.5 17.91 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.44 -42.75 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.26 95.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.192 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HB2' HG23 ' A' ' 17' ' ' ILE . 3.4 mt-10 -67.64 -45.29 75.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -65.55 -33.09 75.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.146 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.48 -48.11 81.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 t80 -67.26 -49.35 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.688 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.598 HD22 HG11 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -57.31 -39.36 75.64 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.498 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 2.4 m-85 -62.01 -34.26 75.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -32.53 66.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.261 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.7 t -67.77 -54.38 23.42 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.85 -38.02 77.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.316 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -44.29 93.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.445 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.895 ' O ' HG22 ' A' ' 36' ' ' THR . 1.4 mmm -71.05 -44.07 66.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.18 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 42' ' ' LEU . 9.9 t80 -56.4 -26.13 52.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.745 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HB2' HD13 ' B' ' 109' ' ' ILE . 60.5 t-80 -74.53 -42.74 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.167 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -62.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.81 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 32' ' ' MET . 6.2 t -65.91 -26.37 67.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.605 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 10.0 mmt 60.66 30.72 19.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.759 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.649 ' HB3' HG23 ' A' ' 41' ' ' VAL . 2.6 m-20 -99.29 112.74 24.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.8 t -77.02 -25.24 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.1 61.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.474 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 38' ' ' ASP . 60.4 t -78.9 -44.34 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.028 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.65 -36.31 83.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.475 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' VAL . 95.8 t -63.31 -44.83 99.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.463 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -53.57 44.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.975 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m-20 -60.0 -41.65 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 50' ' ' ILE . 10.3 mt -53.02 -39.87 63.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.795 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -66.79 -50.32 63.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.149 0.5 . . . . 0.0 110.23 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.3 mt -51.89 -26.64 10.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.541 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' ASP . 24.6 t -98.48 -27.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.341 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.729 HD11 HD22 ' A' ' 46' ' ' LEU . 23.6 mt -101.17 22.2 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.055 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.38 150.28 36.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 29.4 Cg_exo -61.6 -25.97 79.86 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.587 2.192 . . . . 0.0 112.579 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -38.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.551 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.14 17.62 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.807 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 7.3 mt -58.8 -45.82 99.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HG2' HD22 ' A' ' 16' ' ' LEU . 85.8 Cg_exo -47.56 -23.0 3.22 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.711 2.274 . . . . 0.0 113.519 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.965 HD22 HD11 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -53.96 -44.34 70.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.686 0.279 . . . . 0.0 111.499 -179.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.47 ' HE1' HG21 ' A' ' 50' ' ' ILE . 88.4 m-85 -57.9 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.336 . . . . 0.0 111.244 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -74.9 -25.27 58.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.95 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.563 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.965 HD11 HD22 ' A' ' 58' ' ' LEU . 16.6 mt -75.07 -35.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.4 ttp180 -43.25 -53.43 11.08 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 60' ' ' ASP . 87.6 Cg_exo -45.49 -53.23 5.72 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.255 . . . . 0.0 112.941 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD21 HG23 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -73.79 -14.48 61.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.248 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.654 HG13 HG22 ' A' ' 62' ' ' ILE . 43.8 mt -82.82 135.45 45.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.065 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.3 Cg_exo -41.85 140.33 2.04 Favored 'Trans proline' 0 CA--C 1.51 -0.685 0 C-N-CA 123.109 2.539 . . . . 0.0 112.872 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.3 mt -50.22 -45.01 53.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.774 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -66.54 -46.82 74.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.12 0.486 . . . . 0.0 110.111 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.535 ' CG ' HG21 ' A' ' 39' ' ' VAL . 36.1 m170 -64.99 -28.09 69.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.424 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.97 -47.19 87.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 109.975 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' LEU . 4.8 t -61.39 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.154 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.78 -36.14 69.5 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.837 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 43' ' ' VAL . 66.3 t80 -59.61 -33.53 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.482 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 40.9 t0 -72.91 -37.06 67.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.286 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.53 -27.18 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.739 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.0 mt -96.95 -24.29 15.9 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -48.08 -59.4 5.94 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 111.663 -179.474 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 78' ' ' THR . 59.9 Cg_endo -73.55 144.81 36.51 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.931 2.421 . . . . 0.0 112.48 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.73 124.59 47.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.32 32.79 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -85.86 -46.7 10.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.568 ' HE1' HG21 ' A' ' 5' ' ' VAL . 2.5 m-85 -61.83 -54.01 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.663 HD22 HD11 ' B' ' 109' ' ' ILE . 2.2 mt -56.44 -52.0 66.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.77 -32.17 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.65 -58.15 9.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -45.65 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.663 HD11 HD22 ' B' ' 105' ' ' LEU . 86.9 mt -56.61 -55.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.984 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -35.44 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.778 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.22 -41.92 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 109.902 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.578 ' HA ' HD12 ' B' ' 115' ' ' ILE . 3.0 t80 -72.3 -33.79 67.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.657 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.52 -31.87 70.93 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.734 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.21 -32.96 29.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.711 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 112' ' ' TYR . 18.8 mt -74.15 -34.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.33 38.58 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.35 119.57 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -46.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -32.02 72.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' B' ' 104' ' ' TYR . 41.0 t -52.52 -35.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.06 0.457 . . . . 0.0 110.121 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.78 -39.13 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.608 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -38.14 83.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.06 -41.31 67.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.843 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t80 -68.36 -43.52 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.323 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -40.1 66.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -63.67 -46.06 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.779 0.323 . . . . 0.0 110.634 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.4 mmtp -59.53 -52.04 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.301 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.6 t -53.37 -37.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.777 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.47 -28.74 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.028 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -69.95 -32.68 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.999 0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -93.31 -43.6 8.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.406 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.96 HG22 ' H ' ' A' ' 19' ' ' ASN . 2.7 mp -87.88 -62.78 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.171 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 61.08 3.62 0.72 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.299 0.571 . . . . 0.0 111.905 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.96 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -105.22 135.29 46.84 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.67 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.04 -51.66 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.18 92.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.735 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 50.2 mt-10 -68.38 -42.6 78.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.398 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 27' ' ' TYR . 2.5 ttmp? -58.88 -28.9 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.33 -52.0 45.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.205 178.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.766 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.2 -32.99 74.42 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.154 -0.619 . . . . 0.0 111.463 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.015 HD11 HD21 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -68.68 -48.07 64.86 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CE2' ' CE1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.15 -28.81 66.93 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -72.28 -34.74 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.194 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.787 HG22 ' HB3' ' A' ' 45' ' ' ASP . 71.6 t -62.66 -53.82 41.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.594 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -62.07 -39.6 92.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.255 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -63.18 -40.16 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.557 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.897 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -70.34 -42.08 72.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.934 0.397 . . . . 0.0 110.476 179.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 42' ' ' LEU . 6.0 t80 -59.66 -31.71 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.834 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -84.61 -30.28 25.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -78.1 -62.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 111.269 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 32' ' ' MET . 9.2 t -73.91 -21.69 59.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.434 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt 61.37 45.09 8.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.948 0.404 . . . . 0.0 110.727 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -125.06 112.55 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 43' ' ' VAL . 25.1 t -67.7 -23.65 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.92 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.431 . . . . 0.0 110.427 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 38' ' ' ASP . 63.3 t -78.95 -37.72 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.777 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -66.72 -39.01 87.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.261 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 39' ' ' VAL . 50.5 t -65.37 -47.76 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.18 41.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.126 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.787 ' HB3' HG22 ' A' ' 29' ' ' VAL . 25.6 m-20 -59.73 -40.92 89.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.939 0.399 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD22 HD11 ' A' ' 50' ' ' ILE . 11.0 mt -58.52 -29.76 66.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.4 mmtp -71.5 -50.81 27.78 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.71 -20.09 54.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.524 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.766 HG22 ' CE1' ' A' ' 25' ' ' TYR . 54.0 t -99.53 -29.08 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.199 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.756 HD11 HD22 ' A' ' 46' ' ' LEU . 27.6 mt -107.24 21.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.374 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.8 p-10 -50.25 -27.52 6.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.956 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.63 147.32 33.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.792 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' O ' HD12 ' A' ' 56' ' ' LEU . 32.5 Cg_exo -57.77 -27.84 79.59 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.473 2.116 . . . . 0.0 112.48 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -59.97 -37.63 80.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.654 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.15 17.41 5.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.785 -179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.2 mt -61.45 -44.02 91.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.649 ' HG2' HD22 ' A' ' 16' ' ' LEU . 83.2 Cg_exo -46.19 -23.02 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.683 2.256 . . . . 0.0 113.382 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.026 HD22 HD11 ' A' ' 62' ' ' ILE . 3.4 mt -53.89 -40.34 66.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.636 0.255 . . . . 0.0 111.486 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 50' ' ' ILE . 92.6 m-85 -61.85 -50.89 70.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 111.337 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.9 OUTLIER -75.31 -28.2 59.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.62 -49.78 61.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.026 HD11 HD22 ' A' ' 58' ' ' LEU . 5.5 mt -75.2 -34.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.573 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -42.92 -50.59 13.39 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 7.4 Cg_endo -49.68 -53.24 7.37 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.297 1.998 . . . . 0.0 112.916 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -73.68 -8.85 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 111.215 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 62' ' ' ILE . 38.1 mt -84.6 128.85 59.58 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.506 ' HD3' HD12 ' B' ' 105' ' ' LEU . 96.9 Cg_exo -43.26 141.05 3.35 Favored 'Trans proline' 0 CA--C 1.509 -0.749 0 C-N-CA 122.996 2.464 . . . . 0.0 113.141 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -50.18 -46.56 54.41 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 1.1 ptpp? -67.18 -41.7 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.113 0.482 . . . . 0.0 109.98 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 69' ' ' LYS . 49.5 m170 -66.61 -30.12 70.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.243 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.91 -45.76 93.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.07 -55.26 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.852 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.35 -35.18 69.59 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG22 ' A' ' 43' ' ' VAL . 27.1 t80 -59.8 -33.51 71.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -36.63 66.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.186 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -65.76 -30.36 71.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt -84.21 -39.77 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 p -71.18 149.35 94.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.13 85.28 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.944 0.402 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.77 169.12 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.9 33.12 19.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -126.29 -44.48 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.434 ' CD1' HG11 ' A' ' 5' ' ' VAL . 1.8 m-85 -57.59 -52.26 66.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.53 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -58.23 -52.37 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -60.75 -33.55 73.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.64 -58.13 9.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.54 -41.92 71.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 105' ' ' LEU . 71.8 mt -56.91 -55.49 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.23 -35.08 79.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.91 -43.33 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 109.797 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.878 ' HA ' HD12 ' B' ' 115' ' ' ILE . 65.1 t80 -70.64 -34.24 71.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.765 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -29.75 69.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.742 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -35.29 29.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.562 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' B' ' 112' ' ' TYR . 8.3 mt -71.37 -57.46 7.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 57.84 31.89 21.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.181 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.491 ' HB2' HG22 ' B' ' 115' ' ' ILE . 6.4 mmtt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.784 0.326 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.13 33.75 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -128.12 -47.77 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -61.07 -31.89 71.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -52.24 -33.48 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.225 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' HB1' ' NH2' ' A' ' 10' ' ' ARG . . . -72.6 -41.36 65.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.669 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 9.4 ttp180 -67.86 -38.43 83.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.42 -47.71 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.474 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.826 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.0 t80 -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.171 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' NH2' ' HB1' ' A' ' 6' ' ' ALA . 21.9 ttm105 -71.64 -49.24 41.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.924 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 3.6 t-160 -59.26 -44.01 92.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.073 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -59.28 -53.77 54.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 9' ' ' PHE . 44.5 t -58.05 -39.63 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 18' ' ' GLU . 35.4 t70 -72.99 -22.72 60.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE2' ' CD2' ' A' ' 11' ' ' HIS . 1.1 m-85 -69.33 -54.91 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.259 0.552 . . . . 0.0 110.086 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.873 HD12 HG13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -64.93 -41.93 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.521 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.873 HG13 HD12 ' A' ' 16' ' ' LEU . 10.1 mt -88.37 -63.71 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 27.3 tt0 68.1 3.68 3.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.187 -177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.861 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.7 t-20 -102.95 163.56 12.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.774 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.04 -45.32 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.97 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.081 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -64.62 -45.05 88.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.453 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 9.1 ttmt -64.76 -32.96 74.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.143 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -47.31 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.639 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -67.31 -48.66 66.96 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD22 HG11 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -57.23 -42.53 81.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CZ ' ' B' ' 112' ' ' TYR . 0.4 OUTLIER -60.32 -34.92 74.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 177.154 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -31.06 65.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.196 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 25' ' ' TYR . 48.5 t -69.45 -54.33 20.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.927 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' A' ' 9' ' ' PHE . 17.0 mt -59.8 -37.23 78.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -44.53 88.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.796 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.875 ' O ' HG22 ' A' ' 36' ' ' THR . 8.7 ptm -73.49 -30.26 63.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.852 ' OH ' HG22 ' A' ' 39' ' ' VAL . 8.6 t80 -62.64 -41.58 99.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' B' ' 105' ' ' LEU . 0.4 OUTLIER -67.99 -30.17 69.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -76.01 -59.58 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 32' ' ' MET . 4.5 t -74.97 -25.6 58.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.277 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.49 48.94 4.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.77 ' HB3' HG23 ' A' ' 41' ' ' VAL . 10.6 m-20 -121.29 107.89 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.852 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.2 t -69.54 -25.78 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.323 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -25.47 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.435 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.77 HG23 ' HB3' ' A' ' 38' ' ' ASP . 46.9 t -78.9 -43.19 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 66' ' ' ILE . 1.2 pp -65.61 -37.91 87.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' VAL . 61.6 t -65.72 -42.64 92.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.41 -54.03 41.04 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.198 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.93 -44.53 97.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.6 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 50' ' ' ILE . 9.5 mt -50.36 -39.3 46.07 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.673 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ASN . 10.3 mttm -68.39 -49.5 59.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -52.03 -26.46 10.87 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.614 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.39 -27.81 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.777 HD11 HD22 ' A' ' 46' ' ' LEU . 24.2 mt -102.9 23.69 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.224 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -49.71 -27.44 4.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -100.21 144.25 28.05 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.4 Cg_exo -57.16 -24.79 60.68 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.509 2.139 . . . . 0.0 112.61 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -56.51 -38.38 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.373 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -88.02 15.52 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.743 -179.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.9 mt -53.77 -46.66 98.31 Favored Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HB2' HD22 ' A' ' 16' ' ' LEU . 80.9 Cg_exo -42.42 -28.88 1.08 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.693 2.262 . . . . 0.0 113.373 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 62' ' ' ILE . 1.1 mt -60.39 -41.74 94.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 111.138 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' CE2' HG21 ' A' ' 50' ' ' ILE . 34.6 m-85 -60.23 -50.66 72.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 10.4 t70 -75.25 -27.27 59.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.88 -52.39 37.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.897 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.953 HD11 HD22 ' A' ' 58' ' ' LEU . 17.9 mt -74.91 -34.91 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.265 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.605 ' O ' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -43.41 -54.03 10.55 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.612 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 9.9 Cg_endo -52.07 -53.15 7.45 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.785 2.324 . . . . 0.0 114.03 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.866 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -68.0 -10.46 53.74 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.641 HD11 HD21 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -85.22 141.22 37.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.68 0.276 . . . . 0.0 111.052 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.9 140.37 3.06 Favored 'Trans proline' 0 CA--C 1.509 -0.765 0 C-N-CA 122.918 2.412 . . . . 0.0 113.146 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.01 -42.4 49.15 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.289 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -39.37 75.49 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.232 0.539 . . . . 0.0 109.638 178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.591 ' CG ' HG21 ' A' ' 39' ' ' VAL . 41.2 m170 -66.13 -31.4 72.23 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.173 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' HG22 ' A' ' 66' ' ' ILE . 20.0 mt-30 -58.57 -49.2 78.3 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.014 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.4 t -58.44 -54.28 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.783 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.35 -33.1 67.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.514 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 42' ' ' LEU . 8.8 t80 -60.76 -33.45 72.96 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -73.03 -34.67 66.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.282 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -65.73 -32.79 74.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -80.1 -40.28 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.046 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 7.7 p -59.13 159.88 13.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 12.3 Cg_endo -55.6 179.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.581 2.187 . . . . 0.0 112.193 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.989 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.909 0.385 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.32 177.41 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t70 60.05 31.1 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -104.02 -34.75 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -65.16 -40.86 94.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.791 ' HG ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.92 -52.09 66.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.756 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -58.74 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -59.43 -58.1 10.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.26 82.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.68 -55.42 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -65.74 -33.7 76.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -46.91 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.085 0.469 . . . . 0.0 109.775 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.51 ' CZ ' ' CE2' ' A' ' 27' ' ' TYR . 4.1 t80 -69.91 -33.9 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.551 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.49 -29.71 69.25 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.718 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.94 -35.15 29.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.643 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.3 -31.48 54.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.96 45.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.956 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 mtt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.895 0.378 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -103.56 62.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -165.48 -50.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -31.99 72.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' B' ' 104' ' ' TYR . 39.3 t -52.56 -36.05 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.069 0.461 . . . . 0.0 110.303 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.62 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -37.76 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.78 -50.05 46.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 13' ' ' VAL . 53.1 t80 -65.51 -40.11 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.259 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -70.37 -41.18 73.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -64.2 -48.51 75.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 mptt -59.24 -54.09 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.99 0.424 . . . . 0.0 110.299 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 9' ' ' PHE . 92.3 t -53.35 -37.0 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.577 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -70.34 -30.45 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.95 -32.81 71.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD22 ' HG2' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -90.38 -44.93 9.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.206 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.937 HG22 ' H ' ' A' ' 19' ' ' ASN . 3.0 mp -85.23 -66.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 61.9 3.44 0.93 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.337 0.589 . . . . 0.0 111.968 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.937 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -103.36 -175.05 2.69 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.691 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -110.31 -49.29 3.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.64 83.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 17' ' ' ILE . 17.6 mt-10 -68.29 -46.26 70.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.522 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -63.14 -32.87 74.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.96 -51.97 65.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.017 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 29' ' ' VAL . 67.4 t80 -67.18 -45.03 78.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.879 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 13' ' ' VAL . 1.6 tt -57.44 -43.22 83.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.16 -33.75 72.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -72.33 -33.66 67.49 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.167 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' CB ' ' A' ' 45' ' ' ASP . 66.2 t -62.26 -46.77 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.381 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.43 -46.06 90.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.148 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -55.57 -32.3 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.385 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.751 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -71.16 -51.17 26.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.449 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.744 ' CG ' HD12 ' A' ' 42' ' ' LEU . 4.2 t80 -56.4 -24.39 44.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -82.0 -42.97 18.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.889 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -62.46 1.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.942 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 32' ' ' MET . 8.2 t -76.63 -35.43 58.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.009 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 4.2 mmt 60.96 53.28 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.923 0.392 . . . . 0.0 110.814 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.735 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -121.87 112.44 18.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.962 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 t -57.65 -22.74 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.195 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -28.55 62.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.244 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 38' ' ' ASP . 93.9 t -74.59 -50.61 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.526 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.744 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -56.31 -46.44 79.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.693 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.5 t -65.58 -44.7 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.591 ' CB ' HG22 ' A' ' 29' ' ' VAL . 2.4 m-20 -61.66 -47.01 87.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.909 0.385 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 50' ' ' ILE . 10.5 mt -50.47 -42.57 54.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASN . 11.7 mmtt -64.75 -50.48 66.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.332 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -52.02 -26.3 10.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.678 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.22 -27.13 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 46' ' ' LEU . 7.5 mt -103.41 23.01 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.355 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -45.83 -29.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.894 179.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 12.9 mt-10 -102.59 144.06 27.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.637 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 45.8 Cg_exo -56.32 -23.07 44.33 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.521 2.148 . . . . 0.0 112.677 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -36.89 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.397 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' CB ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -88.11 18.92 3.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.877 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.4 mt -57.26 -46.23 99.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 79.4 Cg_exo -42.95 -26.87 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.791 2.327 . . . . 0.0 113.426 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 HD11 ' A' ' 62' ' ' ILE . 5.7 mt -55.41 -36.58 66.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.277 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.438 ' HD1' ' HH ' ' A' ' 74' ' ' TYR . 79.2 m-85 -64.65 -51.01 64.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.143 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 t70 -75.11 -28.84 60.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.01 -49.69 59.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.978 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.908 HD11 HD22 ' A' ' 58' ' ' LEU . 7.0 mt -74.97 -35.45 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -43.35 -53.34 11.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 98.2 Cg_exo -42.55 -54.09 3.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.793 2.329 . . . . 0.0 113.573 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 105' ' ' LEU . 4.3 pp -74.49 -23.77 58.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.716 0.294 . . . . 0.0 111.067 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' LEU . 43.9 mt -68.45 133.22 91.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.83 139.8 13.74 Favored 'Trans proline' 0 CA--C 1.508 -0.806 0 C-N-CA 122.821 2.347 . . . . 0.0 112.791 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.2 mt -50.1 -45.15 52.52 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 113.775 -1.557 . . . . 0.0 111.66 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -65.4 -50.7 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.145 0.498 . . . . 0.0 109.877 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 11.7 m170 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.325 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.35 -46.36 90.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.066 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 68' ' ' LEU . 3.7 t -61.36 -55.04 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.102 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -34.09 69.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.575 ' OH ' HD13 ' A' ' 46' ' ' LEU . 49.1 t80 -60.97 -33.78 73.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.39 -35.66 65.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.327 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.9 -33.59 76.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 HG21 ' A' ' 43' ' ' VAL . 6.0 mt -80.38 -33.62 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -84.57 112.72 44.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.12 165.22 2.18 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.43 2.087 . . . . 0.0 112.395 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.922 0.391 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -111.36 107.91 17.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 171.08 -45.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -33.67 72.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.462 ' CD1' HG11 ' A' ' 5' ' ' VAL . 48.2 m-85 -47.29 -39.75 15.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.315 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -59.93 -52.21 66.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.701 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -58.12 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.45 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.898 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.25 -55.55 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -64.25 -37.7 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -40.62 66.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 109.837 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.487 ' HA ' HD12 ' B' ' 115' ' ' ILE . 8.0 t80 -72.4 -34.54 67.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.657 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -31.26 69.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -82.15 -33.79 29.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.699 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 112' ' ' TYR . 15.6 mt -76.22 -70.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 57.51 43.13 23.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.809 0.338 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -137.02 31.46 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -143.73 -52.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -32.01 64.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' B' ' 104' ' ' TYR . 28.5 t -52.39 -35.18 19.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 110.39 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.9 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.556 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -67.75 -35.69 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.913 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.12 -50.13 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.723 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.836 ' O ' HG23 ' A' ' 13' ' ' VAL . 26.0 t80 -62.19 -37.01 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.431 . . . . 0.0 110.228 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -74.19 -49.36 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.09 -34.36 77.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.2 mmtm -63.73 -54.99 26.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.372 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 9' ' ' PHE . 43.4 t -53.38 -37.48 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.575 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -30.53 68.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -30.34 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.18 0.514 . . . . 0.0 110.386 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.799 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -87.1 -52.57 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.051 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 19' ' ' ASN . 10.5 mm -84.41 -62.94 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.601 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 17' ' ' ILE . 26.7 tt0 67.58 3.9 3.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.395 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.0 t-20 -105.35 178.88 4.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.874 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.78 -51.83 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.37 79.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -66.15 -44.24 84.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.538 179.647 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.194 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.53 -49.1 76.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.841 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 29' ' ' VAL . 13.0 t80 -67.15 -46.46 73.98 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD11 HD11 ' A' ' 58' ' ' LEU . 1.5 tt -57.24 -43.76 83.23 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' B' ' 112' ' ' TYR . 1.3 m-85 -59.77 -33.66 71.98 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.337 178.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 42' ' ' LEU . 59.0 t -64.88 -49.58 79.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.643 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' HE2' ' A' ' 9' ' ' PHE . 32.2 mt -63.39 -39.84 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.526 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -36.02 82.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.579 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -74.92 -49.85 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.674 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CG ' HD12 ' A' ' 42' ' ' LEU . 29.4 t80 -59.09 -25.47 63.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.43 ' CB ' HD13 ' B' ' 109' ' ' ILE . 16.5 t60 -84.8 -34.5 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.736 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -78.38 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.259 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 32' ' ' MET . 8.9 t -74.42 -27.9 60.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.655 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 2.4 mmt 63.16 51.39 2.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.731 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.855 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -123.32 112.37 17.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 43' ' ' VAL . 24.6 t -62.53 -25.16 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.984 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.12 -24.02 62.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.29 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.855 HG23 ' HB3' ' A' ' 38' ' ' ASP . 92.6 t -74.92 -54.73 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.595 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.796 HD12 ' CG ' ' A' ' 33' ' ' TYR . 0.8 OUTLIER -55.21 -44.98 75.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.571 179.616 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 39' ' ' VAL . 38.7 t -62.5 -46.18 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.71 -57.27 20.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -62.03 -40.99 97.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.809 HD22 HD11 ' A' ' 50' ' ' ILE . 9.9 mt -54.34 -37.94 65.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' ASN . 13.8 mmtp -70.19 -50.76 36.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.429 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.12 -27.6 14.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.058 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.16 -28.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 HD22 ' A' ' 46' ' ' LEU . 41.7 mt -105.12 25.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.184 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -46.77 -29.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.73 152.89 38.78 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 51.5 Cg_endo -68.84 -20.95 38.74 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.178 . . . . 0.0 112.773 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -34.91 76.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.252 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' CB ' HG23 ' A' ' 50' ' ' ILE . 11.1 mtt85 -88.07 16.46 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.651 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 53' ' ' PRO . 11.9 mt -55.93 -44.92 99.92 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 91.2 Cg_exo -43.91 -24.62 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.715 2.277 . . . . 0.0 113.702 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.799 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -54.12 -53.06 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.376 -179.717 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -51.59 -49.15 62.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.1 t70 -74.97 -24.99 58.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 64' ' ' PRO . . . -67.87 -51.61 46.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.686 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.689 HG22 HG13 ' A' ' 66' ' ' ILE . 10.1 mt -74.97 -34.61 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.206 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.574 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 2.0 ttt180 -42.83 -51.25 12.6 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 63' ' ' ARG . 10.5 Cg_endo -53.85 -53.44 6.44 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.291 1.994 . . . . 0.0 113.126 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.913 HD12 HD12 ' B' ' 105' ' ' LEU . 0.2 OUTLIER -73.87 -8.0 54.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.329 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.689 HG13 HG22 ' A' ' 62' ' ' ILE . 9.4 mt -81.98 134.59 49.47 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-O 120.533 0.206 . . . . 0.0 110.772 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 4.9 Cg_exo -40.55 136.32 1.84 Allowed 'Trans proline' 0 CA--C 1.509 -0.741 0 C-N-CA 123.135 2.557 . . . . 0.0 112.96 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.28 -44.58 53.92 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.604 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 70' ' ' HIS . 17.3 pttt -67.09 -46.76 73.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m170 -64.55 -28.22 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.527 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.7 -50.47 73.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.049 0.452 . . . . 0.0 109.845 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 72' ' ' VAL . 3.9 t -58.43 -52.6 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.742 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.86 -33.94 69.21 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.567 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -60.06 -33.92 72.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.18 -36.22 66.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.392 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -65.9 -32.74 74.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD13 HG12 ' A' ' 39' ' ' VAL . 5.7 mt -86.41 -26.07 24.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.7 p -99.6 97.14 5.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.89 -167.68 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.414 2.076 . . . . 0.0 112.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.367 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -162.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -86.57 10.43 15.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -33.87 70.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.738 0.304 . . . . 0.0 110.773 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . 0.5 ' CD2' HG11 ' A' ' 5' ' ' VAL . 59.2 m-85 -60.97 -52.29 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.913 HD12 HD12 ' A' ' 65' ' ' LEU . 2.8 tp -56.64 -52.07 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -32.15 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.8 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -58.06 10.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.52 -42.7 67.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 105' ' ' LEU . 85.6 mt -57.01 -55.33 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.856 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -63.11 -35.61 80.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -40.06 70.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . 0.702 ' HA ' HD12 ' B' ' 115' ' ' ILE . 21.8 t80 -72.34 -34.13 67.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.87 -31.52 69.86 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.817 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.11 -34.15 29.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.617 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' B' ' 112' ' ' TYR . 14.1 mt -71.78 -35.01 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.04 55.05 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 stop_ save_