data_2luy_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 2luy _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.904 0.383 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.43 138.51 58.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.446 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mt -123.06 117.51 25.61 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 110.379 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.7 mm -96.41 128.6 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.72 133.97 38.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.71 135.27 34.02 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -88.51 -6.81 57.36 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 110.601 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.34 -60.85 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.8 p -107.5 20.2 19.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 40.84 36.88 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.027 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -108.08 134.38 51.04 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.294 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.9 t -101.6 128.93 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.026 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -145.21 170.6 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.69 -175.0 36.88 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -54.25 -6.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -74.15 -55.29 6.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 9.38 17.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.497 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -123.2 127.55 48.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 t -59.73 148.78 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.123 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.64 -40.14 86.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.5 p -64.12 -46.7 83.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.658 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.75 -42.19 82.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.401 . . . . 0.0 110.736 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.458 ' O ' ' OG1' ' A' ' 62' ' ' THR . 74.2 t90 -62.46 -36.92 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -61.16 -30.7 70.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.03 -7.56 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 77.6 p -70.38 -18.48 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -144.5 153.43 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 p -128.0 172.39 10.97 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.77 122.29 45.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.336 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ARG . 56.4 t -130.85 134.34 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.618 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 46.45 26.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.61 27.44 63.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' VAL . 61.3 ttt85 -133.2 133.68 43.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.905 0.383 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.6 m -64.42 131.39 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.22 141.22 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.657 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -82.13 132.78 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.2 140.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -63.03 -42.23 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -149.25 83.54 6.54 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.562 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.53 118.69 3.58 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.725 2.283 . . . . 0.0 111.802 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -98.83 114.04 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 m -143.69 166.17 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.349 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.0 pt -126.53 170.4 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.761 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 m -75.46 163.99 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.721 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -35.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.425 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -25.67 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.649 0.261 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 132.52 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -79.0 127.48 32.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.26 136.37 43.99 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -4.05 29.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.06 62.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.747 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.41 -5.03 7.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 60.04 45.41 12.04 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.435 0.46 . . . . 0.0 111.001 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -75.99 133.02 40.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -138.09 148.8 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.42 172.68 54.53 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 pt -79.82 -11.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -66.61 -45.2 79.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.98 14.55 17.33 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.94 124.4 44.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.939 0.399 . . . . 0.0 110.394 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 107' ' ' LYS . 48.5 t -61.19 153.03 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 106' ' ' SER . 59.3 tttm -62.51 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.78 84.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -63.44 -24.25 67.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -80.74 -33.95 34.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -67.98 -45.76 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.332 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.49 160.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.514 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.3 mt -81.88 -11.15 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.741 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -133.37 77.82 64.89 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.077 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.83 142.96 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.762 2.308 . . . . 0.0 112.134 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -132.05 128.17 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.6 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.2 m -48.47 145.68 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.36 -19.87 39.09 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.8 mp -90.23 -36.52 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.97 -37.3 85.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.065 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.19 -38.32 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.665 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 122' ' ' HIS . 86.5 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.838 0.351 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 178.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.575 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.5 mt -137.13 109.74 7.49 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.236 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 40' ' ' ILE . 49.6 mm -103.41 145.5 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.479 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.4 mtp -80.77 143.39 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.561 ' C ' ' H ' ' A' ' 44' ' ' ARG . 52.5 t -83.49 119.74 25.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 mtm -54.03 -4.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.059 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.561 ' H ' ' C ' ' A' ' 42' ' ' CYS . 9.8 mpt_? -112.84 -85.23 0.58 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.949 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.4 p -79.14 0.61 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 44.47 45.54 7.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.292 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -101.75 100.66 11.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.04 124.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.519 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -142.05 148.33 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.377 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.16 -179.79 28.67 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.4 -15.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.278 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.95 -49.67 23.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 110.786 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.59 6.0 45.56 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HH ' ' N ' ' A' ' 80' ' ' CYS . 1.9 m-85 -127.79 139.71 52.49 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.303 0.573 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -64.74 150.82 46.62 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.836 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -62.0 -35.93 80.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.533 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -62.22 -48.71 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 54.5 mt-30 -67.65 -42.06 82.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.455 ' O ' ' OG1' ' A' ' 62' ' ' THR . 7.3 t-105 -60.73 -38.23 84.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' PHE . 8.1 t -60.45 -20.58 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -79.04 -17.35 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.942 0.401 . . . . 0.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 70.7 p -70.7 -19.12 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 60' ' ' SER . 36.5 p90 -147.95 157.77 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -131.27 171.77 12.94 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.265 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -113.45 113.76 25.62 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.006 0.432 . . . . 0.0 109.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.8 m -133.79 148.3 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.637 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 53.21 18.78 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.455 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.02 25.4 69.18 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -136.46 143.12 43.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 0.0 110.623 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -68.27 126.62 30.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.237 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.97 133.87 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.004 0.431 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 p -77.36 149.79 35.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.293 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.518 ' C ' ' H ' ' A' ' 75' ' ' ASP . 57.4 t -93.09 117.46 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -65.89 6.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.518 ' H ' ' C ' ' A' ' 73' ' ' VAL . 32.6 t70 -141.87 67.78 23.24 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.507 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.11 85.24 1.71 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.698 2.266 . . . . 0.0 111.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -101.05 98.99 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.153 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.7 159.68 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 84.2 mt -105.02 155.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.652 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.489 ' N ' ' HH ' ' A' ' 54' ' ' TYR . 14.2 p -86.28 164.22 17.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.932 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.451 HH21 ' C ' ' A' ' 54' ' ' TYR . 99.5 mtt180 -66.47 -23.47 66.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -72.79 -44.5 61.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 72.1 m . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.391 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.673 0.273 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -124.63 133.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.377 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 93' ' ' CYS . 8.5 t-105 -81.98 138.18 34.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.405 ' N ' ' CD1' ' A' ' 92' ' ' TRP . 13.8 t -113.96 133.3 55.56 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.5 p -89.9 -21.53 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.406 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.49 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.669 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.64 -22.88 14.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 69.05 35.24 2.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.06 162.06 39.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.5 m -78.93 139.19 38.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.364 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -134.26 140.46 46.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.398 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.35 157.97 31.96 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.8 tt -71.79 -31.49 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.38 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.64 -41.28 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -85.12 22.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.701 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -127.19 144.97 50.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.477 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 107' ' ' LYS . 14.7 t -78.06 154.71 31.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.422 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 106' ' ' SER . 55.7 mtpt -74.84 -40.56 60.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.038 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.69 80.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.769 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 111' ' ' HIS . 2.5 mp0 -58.81 -53.31 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.443 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -40.23 -23.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 110.773 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' GLN . 53.6 t-80 -67.49 -41.23 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' GLN . 17.7 m -66.76 164.55 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.1 mt -85.98 -7.45 58.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.8 p-10 -135.39 74.88 59.72 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.077 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.49 137.22 72.29 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.594 2.196 . . . . 0.0 111.964 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.471 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 54.3 mtm180 -124.36 133.6 53.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.574 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -61.49 151.91 31.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -55.99 -9.66 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.434 ' H ' ' C ' ' A' ' 117' ' ' CYS . 5.4 mm -88.19 -39.62 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.983 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -75.25 -28.88 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.547 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 m -72.17 -40.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.943 0.402 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.651 -179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 145.96 50.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.114 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.84 128.06 56.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.193 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.59 127.65 63.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.4 ttt -87.52 132.02 34.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 t -81.84 123.99 29.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 ptm -69.07 1.43 3.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.811 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -111.35 -87.91 0.53 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.31 14.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' ARG . 35.9 mmt180 39.39 35.24 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.48 124.27 36.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -99.61 130.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -161.63 171.79 17.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.992 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.99 -171.41 40.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 tt -52.04 -6.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.604 0.24 . . . . 0.0 111.367 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 50' ' ' GLY . 47.6 t0 -70.94 -48.71 51.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.775 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 p -89.05 4.09 49.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -123.76 135.15 53.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.904 0.383 . . . . 0.0 110.732 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -69.46 159.35 33.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.23 -42.12 94.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.173 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -50.2 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 89.2 mt-30 -64.51 -42.51 95.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.443 ' O ' ' OG1' ' A' ' 62' ' ' THR . 56.6 t90 -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.58 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -60.49 -22.47 63.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.73 -10.08 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.498 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 68.7 p -70.77 -17.0 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.811 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -144.29 155.41 43.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.06 170.69 9.06 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.67 121.17 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.07 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 63.7 t -126.66 127.32 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.888 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 41.5 35.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.69 29.43 63.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 66' ' ' VAL . 39.6 ttm180 -128.22 129.52 46.56 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 110.347 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -69.33 127.55 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.29 132.54 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.4 t -76.13 140.59 41.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -70.0 141.65 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.9 p -69.8 -38.49 76.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -144.6 80.47 11.71 Favored Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.78 117.87 3.7 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.523 2.149 . . . . 0.0 112.231 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -107.99 107.95 18.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -144.98 157.48 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.027 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.43 HD13 HG22 ' A' ' 79' ' ' ILE . 94.8 mt -99.47 154.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.536 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 13.8 p -82.57 170.06 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 110.943 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.66 -36.18 78.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.484 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.536 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 36.4 p -65.63 -35.09 79.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.191 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.252 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.823 0.344 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.9 mt -130.92 136.64 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.414 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -75.8 123.78 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.579 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.9 t -99.91 131.78 45.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.91 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.6 p -92.28 -11.01 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.155 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.84 -25.69 27.9 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 97.1 m -104.88 -37.92 6.83 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.647 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 81.88 35.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.622 -178.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -150.61 165.85 32.08 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 m -75.14 140.31 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.232 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -136.34 140.76 43.54 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.72 167.51 29.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.4 tp -78.84 -27.3 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.689 0.28 . . . . 0.0 111.339 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 33.4 p-10 -61.2 -43.64 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.171 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 97.0 mt-10 -81.28 20.11 0.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 0.0 110.394 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.501 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.4 m-85 -134.67 148.45 50.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.544 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.2 m -93.56 173.42 7.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.315 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -76.61 -33.48 58.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.994 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.197 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -57.36 -21.97 39.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 110.197 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -72.79 -37.31 67.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.331 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.19 -44.52 91.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.31 149.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.1 mt -76.62 -11.5 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.715 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 20.7 p-10 -129.76 80.25 71.86 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.1 144.39 99.39 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.654 2.236 . . . . 0.0 111.84 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.2 mtm-85 -139.59 123.25 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.414 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.501 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 4.0 m -41.61 154.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.544 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.7 mm100 -57.91 -21.15 42.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mm -88.86 -20.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.62 -35.0 30.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.199 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.9 m80 . . . . . 0 C--O 1.234 0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.766 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.2 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.03 0.443 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.14 144.94 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.57 125.38 54.2 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.9 mm -93.49 126.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.571 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.9 ttt -81.91 131.04 35.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.427 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.56 127.17 33.91 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.517 0.675 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.513 ' O ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.8 -0.75 5.8 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.543 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -118.67 -76.64 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.602 0.239 . . . . 0.0 111.503 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.4 p -82.32 0.1 43.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 38.67 41.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -99.09 86.6 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.474 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.6 m -46.24 129.91 2.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -144.76 147.93 33.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.568 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.52 175.6 52.35 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 tt -52.88 -15.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.54 -45.51 65.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 111.205 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.41 4.3 54.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.452 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -121.65 133.34 54.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 147.62 34.98 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.43 -40.66 95.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.598 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -62.12 -47.32 85.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.66 -40.73 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.457 ' O ' ' OG1' ' A' ' 62' ' ' THR . 50.6 t90 -62.47 -37.06 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -62.92 -21.22 65.88 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.47 -10.83 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.426 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 50.9 p -75.55 -15.28 60.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.971 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -148.38 159.25 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 p -128.75 172.66 11.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.62 116.68 32.37 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' ARG . 73.1 t -128.66 132.3 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.064 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 45.1 33.73 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.282 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.52 73.29 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 66' ' ' VAL . 60.7 ttt85 -132.14 133.04 43.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.865 0.364 . . . . 0.0 110.535 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.0 m -67.17 128.93 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.68 127.86 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 p -73.18 151.66 41.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' A' ' 75' ' ' ASP . 58.7 t -99.42 117.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -71.89 19.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.752 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 73' ' ' VAL . 22.0 t70 -150.13 63.97 6.51 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.29 80.62 3.03 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.45 2.1 . . . . 0.0 111.625 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -101.94 95.1 6.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 109.806 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.29 163.87 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.009 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.78 123.62 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.1 p -65.1 169.93 4.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.81 -37.68 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 m -60.93 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.005 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 179.432 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.87 130.78 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -86.29 130.01 34.66 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.98 143.36 30.28 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.371 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 p -101.79 -12.49 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.979 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.19 -11.62 29.99 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -127.09 -5.83 6.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.161 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 50.06 26.25 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.033 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -132.13 142.67 49.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 40.4 m -91.74 129.67 37.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -127.97 159.99 33.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.67 170.99 45.25 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 pt -73.46 -20.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.313 . . . . 0.0 110.737 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.51 -41.51 98.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -90.7 18.53 6.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -129.56 147.26 51.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 t -75.81 152.8 37.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.431 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.93 -42.7 94.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.77 88.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 116' ' ' ARG . 88.3 mm-40 -62.17 -30.35 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -79.81 -21.89 43.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.593 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 14.6 t-80 -91.17 17.76 7.77 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 m -134.46 160.42 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.0 36.15 0.81 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -163.33 59.39 0.82 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -67.4 138.75 47.29 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.194 1.929 . . . . 0.0 112.465 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.509 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mtt-85 -136.11 115.32 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.108 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -42.87 150.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.792 0.33 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.518 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 87.1 mt-30 -53.93 -9.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.79 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.469 ' H ' ' C ' ' A' ' 117' ' ' CYS . 94.0 mt -88.89 -49.9 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.667 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.7 OUTLIER -63.71 -27.41 69.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.495 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 13.6 m -71.1 -43.55 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.099 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 68.7 m80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.901 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.906 0.384 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 143.25 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.67 111.38 15.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.09 133.12 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.421 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 ptm -82.58 135.8 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.26 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -82.05 118.42 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -64.52 -2.29 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.44 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -85.79 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 47' ' ' LYS . 28.2 p -109.69 4.76 22.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' CYS . 99.7 mtt180 55.5 41.31 30.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.409 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CD ' ' SG ' ' A' ' 45' ' ' CYS . 6.7 mtpm? -97.87 130.45 44.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.073 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -91.78 121.21 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.653 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -150.65 165.31 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.201 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -100.68 -168.77 28.69 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.28 -4.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.306 . . . . 0.0 111.619 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 50' ' ' GLY . 95.9 m-20 -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.627 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.72 5.74 20.34 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.509 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.94 125.94 48.71 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.918 0.39 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -63.24 155.09 29.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.989 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.0 p -60.71 -47.6 85.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -68.61 -51.58 40.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.473 ' O ' ' OG1' ' A' ' 62' ' ' THR . 76.2 t90 -55.65 -34.23 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 m -61.32 -34.87 75.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.198 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -7.38 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.456 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 80.8 p -68.93 -19.97 64.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -139.37 148.77 43.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.12 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.0 p -124.06 165.53 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.72 123.07 44.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.009 0.433 . . . . 0.0 110.335 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.48 135.43 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.226 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 52.7 23.8 2.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.957 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.29 17.55 66.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -130.51 150.49 51.69 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.687 0.28 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -80.92 131.9 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.94 128.48 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.906 0.384 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.6 p -63.95 128.83 37.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.073 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.57 134.68 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.149 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -60.2 -41.91 93.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.0 80.93 8.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.752 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.12 144.81 23.97 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.169 1.913 . . . . 0.0 112.002 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -116.74 115.73 26.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.95 165.28 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.44 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 80' ' ' CYS . 76.4 mt -124.98 163.9 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.397 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 4.0 m -76.52 158.57 31.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.35 -37.7 88.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.249 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -74.35 -37.77 63.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.217 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.971 -179.664 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.4 mt -132.12 135.91 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -84.53 124.65 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 t -101.55 137.11 40.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 p -97.29 -12.06 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.37 24.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.81 -30.3 12.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 77.4 26.57 0.69 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -139.92 157.2 46.07 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.4 m -81.14 126.8 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -118.28 136.53 53.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.167 0.508 . . . . 0.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.05 168.73 23.87 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.98 -32.48 56.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 111.006 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -62.88 -41.17 99.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -79.82 10.39 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.08 140.1 52.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.527 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 26.9 m -80.84 165.58 21.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -75.19 -43.57 51.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.885 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.14 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' A' ' 111' ' ' HIS . 2.7 mm100 -69.63 -61.14 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.795 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -56.56 -5.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 81.2 t60 -94.53 18.54 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.801 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.58 164.36 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.7 -41.33 99.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.24 95.8 40.28 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.409 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -75.91 138.06 20.48 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.63 1.554 . . . . 0.0 112.351 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -126.73 128.82 47.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.758 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -56.39 149.23 17.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.527 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 5.6 mp0 -53.22 -10.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 117' ' ' CYS . 20.6 mm -88.14 -48.01 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -65.86 -31.43 72.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.947 -179.143 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.0 m -68.38 -40.66 82.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.053 0.454 . . . . 0.0 110.65 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.193 -178.595 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.915 0.388 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.08 154.38 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.298 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.7 mt -119.09 127.2 53.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.453 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 40' ' ' ILE . 28.4 mm -100.64 131.05 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.451 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.5 ttt -81.21 130.1 34.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.454 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' C ' ' H ' ' A' ' 44' ' ' ARG . 49.0 t -81.29 118.64 22.79 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 121.365 0.602 . . . . 0.0 110.716 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -62.6 -0.46 0.62 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.691 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' A' ' 42' ' ' CYS . 12.2 tpt180 -109.62 -84.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.623 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.1 p -79.8 -3.3 47.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.837 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 52.77 42.13 31.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -102.42 93.69 5.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.39 120.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.477 ' CB ' ' OG ' ' A' ' 53' ' ' SER . 28.2 mmtp -139.72 164.22 30.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.4 -175.4 43.35 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -56.18 -5.85 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.093 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 50' ' ' GLY . 26.6 p-10 -74.42 -50.5 18.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.88 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -91.3 1.69 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.83 129.44 55.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -59.7 152.65 22.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -57.59 -38.52 75.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -50.04 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 87.4 mt-30 -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.566 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 90.4 t90 -63.81 -39.37 94.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.2 p -70.82 -28.58 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -64.96 -28.39 69.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.538 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 70.1 p -66.62 -7.49 20.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.167 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.538 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 71.7 m-85 -119.59 141.89 48.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.983 0.42 . . . . 0.0 110.008 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 p -118.01 158.31 25.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.269 0.556 . . . . 0.0 110.002 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.08 135.54 43.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.516 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.0 p -139.83 133.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.619 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 42.88 26.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.46 28.67 38.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.8 mtt180 -131.04 149.38 52.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.7 m -86.15 123.08 31.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.38 135.75 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -66.31 145.07 56.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.79 143.32 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.566 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.5 m -70.41 -44.68 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -138.78 80.8 24.27 Favored Pre-proline 0 N--CA 1.463 0.224 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.182 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.84 139.7 14.05 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.588 2.192 . . . . 0.0 112.434 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.1 110.57 11.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.328 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.18 164.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 60.8 mt -107.79 141.84 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -78.53 167.46 21.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.484 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -71.87 -42.47 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.014 -179.494 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.87 0.367 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 91' ' ' ILE . 94.8 mt -127.66 133.0 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -78.84 130.25 35.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.51 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.9 t -108.68 133.84 52.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.941 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -95.19 -13.17 25.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.89 -26.7 36.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.39 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -109.43 -29.67 8.32 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 75.09 31.86 0.81 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.423 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -143.39 159.51 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -77.76 134.81 37.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.449 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 8.7 tptp -132.66 141.77 48.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.56 160.63 23.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.6 tt -73.11 -33.54 42.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.87 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 105' ' ' PHE . 10.3 m120 -58.84 -41.47 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.471 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 97.5 mt-10 -79.59 16.97 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -124.3 144.24 50.1 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.577 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.1 t -88.47 165.59 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.334 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.02 -45.59 77.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.23 90.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.542 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -59.48 -26.69 65.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.33 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -82.75 -30.08 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -66.25 -44.17 84.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.52 160.06 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 113' ' ' LEU . 9.4 mp -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.16 79.33 74.58 Favored Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.16 134.84 66.04 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.722 2.281 . . . . 0.0 112.431 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.466 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 45.3 mtt-85 -132.95 136.92 46.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.518 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.668 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -68.0 151.44 47.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -54.29 -9.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.554 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.44 -49.04 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.406 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.668 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -64.51 -28.74 69.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.809 -178.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.78 -30.61 12.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 82.5 t60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.419 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 p30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.927 0.394 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 139.32 55.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -116.57 125.45 51.88 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.05 130.09 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -86.87 144.92 26.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' C ' ' H ' ' A' ' 44' ' ' ARG . 36.3 t -80.45 121.31 25.57 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.928 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.0 ptm -62.83 0.67 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.762 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 26.4 ttp180 -118.21 -72.47 0.69 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.06 -18.74 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.255 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 56.97 34.16 24.46 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -104.81 132.21 51.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.329 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.44 123.51 43.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -144.52 163.93 32.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.439 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -88.12 179.3 46.79 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.42 -4.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 50' ' ' GLY . 21.1 p-10 -74.47 -47.02 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.83 5.46 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.608 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -124.61 135.52 53.17 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.3 p -66.92 156.88 34.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.391 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -62.71 -41.56 99.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.3 m -62.72 -48.3 79.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.43 -42.19 88.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 62' ' ' THR . 80.2 t90 -68.01 -36.14 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 62' ' ' THR . 38.1 m -62.48 -31.44 72.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.97 -3.33 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 64.3 p -74.06 -17.72 60.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.767 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.52 154.34 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -129.44 170.17 14.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.385 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.92 121.64 44.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.458 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' ARG . 53.1 t -129.83 134.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.562 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 46.79 27.9 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.6 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.9 26.72 64.02 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 66' ' ' VAL . 78.9 ttt-85 -132.49 133.47 43.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 127.81 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.09 133.47 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.394 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.76 137.05 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.449 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.8 t -65.88 -42.06 90.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.06 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -139.71 82.33 18.23 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -81.42 117.83 3.15 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.645 2.23 . . . . 0.0 111.712 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -104.88 113.85 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.974 0.416 . . . . 0.0 110.389 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.2 m -150.15 158.27 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.392 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.44 140.96 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.372 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.3 p -54.52 168.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.38 -36.06 82.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.496 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 10.3 p -61.43 -22.4 64.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.545 ' SG ' ' CZ ' ' A' ' 44' ' ' ARG . 1.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.459 ' HG ' ' CG2' ' A' ' 99' ' ' THR . 14.7 t . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.654 0.264 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.34 133.45 66.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.234 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -82.34 113.91 20.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.145 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.67 132.62 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -90.23 -18.41 25.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.3 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.96 -27.0 15.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.49 30.76 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -141.84 160.81 39.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.459 ' CG2' ' HG ' ' A' ' 90' ' ' SER . 18.9 m -75.89 133.73 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -136.24 141.93 43.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.656 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.67 28.61 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.76 -23.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 14.9 p30 -57.49 -42.38 82.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 89.1 mt-10 -86.19 28.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.49 143.9 50.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.175 0.512 . . . . 0.0 110.575 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.3 m -81.65 174.44 11.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.433 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.64 -36.38 82.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 112' ' ' VAL . . . -84.32 -46.69 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 35.8 mt-30 -48.82 -29.42 4.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.609 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -93.36 -10.89 33.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.509 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 72.6 t60 -125.38 18.28 8.23 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 108' ' ' ALA . 14.9 p -97.5 162.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.9 -39.14 93.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.45 ' H ' HG21 ' A' ' 112' ' ' VAL . 25.0 m-20 -123.57 80.75 54.44 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.193 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.75 130.35 36.76 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.123 2.549 . . . . 0.0 112.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 7.7 mtp180 -144.09 117.92 9.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.325 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -42.74 156.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.684 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.52 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 87.1 mt-30 -62.49 -9.99 10.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.664 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.29 -27.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.637 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -83.67 -26.85 29.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.328 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 m -79.54 -26.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 15.1 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.862 0.363 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.17 179.76 7.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.8 mt -137.43 95.76 3.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.996 0.427 . . . . 0.0 110.732 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 40' ' ' ILE . 51.1 mm -87.03 138.49 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.1 ttt -77.03 140.61 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.21 138.66 33.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -79.69 -3.02 45.5 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.36 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ARG . 58.1 mtp180 -115.6 -88.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 19.7 p -66.32 6.63 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' ARG . 86.5 mtm-85 36.74 46.86 0.5 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.017 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 25.9 ttmt -115.17 123.69 49.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.439 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.97 131.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' NZ ' ' CD ' ' A' ' 47' ' ' LYS . 33.5 mttp -146.01 154.03 41.42 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -108.83 -177.12 21.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -52.93 -6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 50' ' ' GLY . 50.1 t0 -72.94 -56.29 5.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.93 0.395 . . . . 0.0 110.666 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -91.23 16.96 8.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.335 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.25 139.1 50.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 p -66.45 155.66 36.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.326 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.51 -39.35 94.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -63.49 -47.66 80.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.56 -39.45 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.47 ' O ' ' OG1' ' A' ' 62' ' ' THR . 5.3 t-105 -62.2 -39.99 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' PHE . 37.7 m -59.38 -29.8 67.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.648 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -70.52 -12.15 61.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 38.8 p -75.55 -19.07 59.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 32.3 p90 -148.56 156.68 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 110.243 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -130.4 168.92 16.19 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.97 123.95 47.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -134.43 136.68 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 51.23 22.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.2 25.06 64.66 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.57 133.76 38.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.509 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -60.9 128.84 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.205 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.81 153.0 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 t -86.34 137.52 32.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.684 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.83 154.08 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.5 m -61.41 -41.83 97.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.13 79.53 7.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.411 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -77.28 118.21 4.6 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.695 2.263 . . . . 0.0 111.906 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -125.02 125.79 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.16 148.1 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.7 tt -94.27 127.41 46.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.6 p -64.7 161.6 17.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -67.17 -39.61 86.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 m -53.31 -40.09 64.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 mm -118.46 131.91 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.56 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TRP . 11.8 t90 -80.53 111.07 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -87.92 130.49 34.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.482 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -93.26 -9.12 40.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.17 -36.47 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.47 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 68.6 m -98.52 -26.8 14.31 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 71.25 35.16 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.355 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -146.23 161.31 40.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 79.1 m -79.59 138.78 37.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -142.41 146.92 35.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.75 165.91 36.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 pt -80.42 -16.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.824 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.18 -42.11 99.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.607 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -84.78 22.22 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.31 136.76 53.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.073 0.463 . . . . 0.0 110.685 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -75.64 167.2 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.364 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -63.27 -40.65 98.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.94 -41.65 82.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -57.11 -37.17 71.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.624 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -81.14 -11.04 59.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -96.63 -45.91 6.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.767 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.2 m -52.2 173.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 10.3 mp -88.97 -11.58 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 12.4 p30 -133.75 77.99 62.21 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.313 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.75 147.42 92.26 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.894 2.396 . . . . 0.0 112.059 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -154.25 126.66 7.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.7 OUTLIER -47.35 147.95 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.44 -8.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.188 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -89.38 -28.18 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.034 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -82.01 -33.15 30.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.68 -37.22 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.45 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.799 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.2 t0 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.811 0.339 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.38 176.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.42 117.56 14.43 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.5 mt -101.68 142.09 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.76 130.0 38.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 t -84.0 156.16 22.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.291 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.411 ' SD ' ' C ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -107.2 -9.14 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.366 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -101.47 -58.62 1.85 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 17.0 p -102.82 -3.91 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.764 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 56.1 31.98 19.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.494 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 17.7 ttmm -87.07 133.35 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.15 127.7 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -167.67 178.03 5.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.682 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.597 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.58 -167.51 35.19 Favored Glycine 0 CA--C 1.517 0.199 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -50.79 -4.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.826 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' ' 50' ' ' GLY . 68.3 t0 -71.06 -53.69 13.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.11 6.74 43.75 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.76 139.9 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 p -67.82 160.12 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.49 -40.85 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.558 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -65.96 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -48.17 -42.83 30.7 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.39 0.614 . . . . 0.0 110.57 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -61.24 -38.42 86.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.408 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.9 m -79.02 -11.31 60.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.988 0.423 . . . . 0.0 111.074 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' PHE . 78.7 mttt -78.49 -26.54 45.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.6 p -75.41 10.89 1.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.049 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.3 m-85 -129.15 149.99 50.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -134.89 158.46 44.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.252 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.09 122.5 44.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.486 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' ARG . 55.3 t -130.53 131.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 46.79 32.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.376 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.89 70.85 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' VAL . 79.5 ttt-85 -130.7 138.35 49.97 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.396 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.5 m -73.61 126.34 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.39 134.66 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m -70.08 149.23 47.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.6 128.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.1 p -66.87 -33.27 75.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -126.08 75.05 72.26 Favored Pre-proline 0 N--CA 1.466 0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -80.06 111.15 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.644 2.229 . . . . 0.0 111.57 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -102.52 87.36 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.24 160.96 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.284 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 pt -117.32 167.72 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.769 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -78.04 166.65 22.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.874 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.11 -37.35 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -76.48 -27.23 56.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.777 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.328 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.4 HD13 HH11 ' A' ' 110' ' ' ARG . 96.1 mt -124.62 133.02 70.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -77.57 114.26 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.8 t -90.35 133.51 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.71 -10.27 34.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.656 0.265 . . . . 0.0 110.313 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.07 -26.57 22.47 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.612 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 90.5 m -100.42 -38.12 8.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.757 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 30.3 tt0 82.08 31.07 0.11 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.459 0.475 . . . . 0.0 110.283 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -151.45 167.66 27.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 m -76.01 137.27 40.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -135.64 140.58 44.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.65 164.97 25.16 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 tt -78.24 -24.03 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 110.809 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.14 -42.1 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.713 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' C ' HE22 ' A' ' 118' ' ' GLN . 72.7 mm-40 -81.94 22.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.717 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.636 ' CA ' HE22 ' A' ' 118' ' ' GLN . 2.0 m-85 -130.84 142.79 50.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.908 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -93.29 179.25 5.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.524 ' N ' ' OG ' ' A' ' 106' ' ' SER . 63.9 mttp -74.58 -39.48 62.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.136 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.05 86.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 9.7 mp0 -59.9 -37.91 80.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.303 0.573 . . . . 0.0 110.462 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.4 HH11 HD13 ' A' ' 91' ' ' ILE . 77.8 mtp85 -71.21 -38.69 72.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.87 -43.88 90.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.88 150.78 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.5 -12.94 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.48 81.72 67.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.2 144.52 95.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.808 2.339 . . . . 0.0 111.786 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -146.54 125.71 12.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' CYS . 3.5 m -41.73 145.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.605 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.636 HE22 ' CA ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -48.15 -29.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -80.35 -22.71 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' CYS . 99.4 m -80.98 -42.59 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.35 -34.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 7.6 m-70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.255 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 66.3 t0 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.695 0.283 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.62 126.29 52.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.355 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -113.83 137.13 52.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.146 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.04 132.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.5 ttp -83.75 136.0 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.77 143.93 52.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.07 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ptp -80.76 -5.98 57.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -120.13 -48.41 2.33 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.907 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 m -84.28 -20.62 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.699 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 58.24 24.42 11.44 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -105.12 136.31 44.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.687 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.8 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.18 144.93 35.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.19 172.87 28.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -43.72 -24.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.312 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 53' ' ' SER . 35.5 p-10 -73.99 -43.78 56.87 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.958 0.408 . . . . 0.0 111.026 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.2 m -93.73 8.54 40.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 131.71 53.5 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -57.08 144.48 34.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.069 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.0 -40.19 94.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.651 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 58' ' ' GLN . 25.2 p -58.77 -51.32 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 57' ' ' THR . 16.4 mp0 -67.29 -41.07 86.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.267 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' A' ' 62' ' ' THR . 32.3 t90 -58.29 -38.31 76.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.5 t -63.11 -22.19 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -84.45 -21.15 30.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 0.0 110.595 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 57.9 p -66.95 -1.92 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.631 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -160.81 166.53 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 71' ' ' VAL . 1.1 p -134.1 169.55 16.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.18 130.65 55.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.427 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 5.7 p -140.92 137.88 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 43.52 21.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 82.48 29.93 34.82 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 88.9 mtm180 -134.84 132.57 38.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.639 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -68.51 132.57 47.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.471 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG2' ' OG1' ' A' ' 64' ' ' THR . 6.8 m -132.79 133.91 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.965 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m -77.28 141.28 40.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -70.08 156.02 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.416 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.7 t -67.52 -43.99 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.842 0.354 . . . . 0.0 111.01 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -148.31 80.34 8.55 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.307 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 117.58 4.17 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.436 2.09 . . . . 0.0 112.01 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -107.13 107.16 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.072 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.2 158.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.18 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.79 153.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.532 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.4 p -82.36 -175.1 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.644 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -74.44 -34.49 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 10.3 p -56.6 -49.43 74.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.245 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.812 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.704 0.287 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -130.03 134.16 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.338 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -87.83 127.25 35.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.62 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.11 133.63 37.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -91.49 -9.65 43.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.41 25.03 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.557 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.3 m -115.39 -20.08 10.44 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.56 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 60.46 29.07 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -134.79 152.65 51.93 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -81.53 130.89 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.517 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -127.13 139.69 52.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.03 165.55 5.46 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.52 -35.78 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.943 0.402 . . . . 0.0 110.79 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 105' ' ' PHE . 84.4 m-20 -60.34 -39.24 86.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.565 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.46 9.04 1.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.5 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.3 m-85 -129.09 148.85 51.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.683 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.3 t -88.6 171.2 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.338 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.76 -44.86 63.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.117 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 81.5 mt-30 -56.95 -26.14 59.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -87.02 -15.88 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 0.0 110.331 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -90.27 17.87 6.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 109' ' ' GLN . 14.8 m -126.2 159.43 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 110.101 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' A' ' 113' ' ' LEU . 4.0 mm? -64.0 -39.21 93.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -120.35 85.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.78 141.92 92.2 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.492 2.128 . . . . 0.0 111.798 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -130.58 119.55 22.68 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.5 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 31.9 p -46.37 144.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.48 -11.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.825 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.445 ' H ' ' C ' ' A' ' 117' ' ' CYS . 39.1 mm -88.42 -39.41 12.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.488 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.17 -33.64 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.5 m -74.46 -40.25 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.715 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 122' ' ' HIS . 14.9 t-80 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.8 t0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.49 173.57 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.706 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mp -139.53 110.76 6.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.118 0.485 . . . . 0.0 110.032 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 40' ' ' ILE . 1.5 mp -100.98 146.5 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.61 135.75 35.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.89 139.4 39.24 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.103 0.477 . . . . 0.0 110.157 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.2 ptm -77.67 -5.67 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.033 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -118.06 -85.37 0.65 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.154 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.7 p -66.28 -4.56 8.09 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.603 0.239 . . . . 0.0 111.518 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 48.06 36.5 6.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.46 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -91.72 127.22 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.061 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.22 114.15 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -149.08 170.78 17.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.384 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -106.13 -166.52 23.07 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -48.97 -7.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -71.09 -49.51 43.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.482 . . . . 0.0 110.011 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.5 m -87.64 4.61 43.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.872 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.87 142.02 51.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.039 0.447 . . . . 0.0 111.133 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.1 t -69.46 160.64 31.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.502 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.12 -41.27 98.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.901 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' OG ' ' A' ' 60' ' ' SER . 13.6 m -62.85 -46.14 89.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.71 -48.47 74.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.013 0.435 . . . . 0.0 111.379 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.441 ' O ' ' OG1' ' A' ' 62' ' ' THR . 6.8 t-105 -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.25 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 57' ' ' THR . 53.3 p -66.67 -20.3 65.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.89 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -78.49 -20.05 51.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.369 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.519 ' OG1' ' CE2' ' A' ' 63' ' ' PHE . 72.5 p -71.65 -7.62 49.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CE2' ' OG1' ' A' ' 62' ' ' THR . 42.9 m-85 -124.78 146.13 49.38 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.971 0.415 . . . . 0.0 110.247 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 p -123.46 155.85 36.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.867 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 122.07 44.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.196 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -128.9 131.11 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.063 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 50.81 26.03 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.99 15.61 78.63 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -117.61 143.91 45.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.794 0.331 . . . . 0.0 110.355 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -77.89 123.62 26.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.214 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.02 134.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.2 p -69.64 147.23 50.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.45 141.89 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.384 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.9 p -66.76 -41.95 86.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.019 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.07 79.07 7.03 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 140.87 14.95 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.127 1.885 . . . . 0.0 112.535 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -120.73 109.86 15.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.16 148.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.12 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 79' ' ' ILE . 89.3 mt -87.9 153.3 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -93.13 155.01 17.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -61.04 -29.77 69.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.085 0.469 . . . . 0.0 110.564 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 m -65.2 -38.02 89.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.389 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.476 -178.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.753 0.311 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.02 138.04 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -85.28 138.02 32.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.737 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 14.8 t -110.42 137.88 47.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -96.41 -12.41 24.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -84.38 -21.69 30.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.8 m -121.23 -10.98 8.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.57 35.55 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.207 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -141.47 155.87 45.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.737 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -86.36 140.68 29.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -135.97 147.49 48.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.456 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.97 165.25 26.34 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 tt -69.38 -32.72 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.37 -41.31 96.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.47 5.27 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -121.9 141.45 51.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.726 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 107' ' ' LYS . 47.5 t -87.23 163.7 16.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.621 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' N ' ' HG ' ' A' ' 106' ' ' SER . 98.4 mttt -72.07 -37.49 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.62 88.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -75.88 -16.64 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.147 0.499 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.07 -20.55 44.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -85.86 -43.48 13.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.5 m -54.31 167.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.408 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 7.4 mp -81.64 -15.63 53.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -131.22 79.18 71.08 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.4 140.71 95.58 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.451 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 91.3 mtt180 -129.13 141.13 51.28 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.89 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -66.06 145.19 56.14 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.827 0.346 . . . . 0.0 110.308 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -50.65 -10.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.516 ' H ' ' C ' ' A' ' 117' ' ' CYS . 81.5 mt -87.89 -49.44 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.7 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -64.02 -31.95 73.32 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.148 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 10.5 m -68.74 -41.4 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.604 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 121' ' ' VAL . 49.8 t-80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.157 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 52.8 t0 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.92 138.27 49.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.55 127.31 52.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -91.11 137.21 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.1 ttt -85.59 123.15 30.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.421 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 17.1 t -86.1 147.69 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptm -97.7 -8.02 29.6 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.92 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -87.55 -58.81 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.058 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -104.0 14.75 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.582 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 41.27 30.31 0.12 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.917 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -107.2 155.55 19.79 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.52 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.255 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -134.49 140.63 46.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.57 170.66 38.84 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 tt -45.71 -26.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -72.84 -40.22 65.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p -96.83 10.39 39.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.309 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.48 141.05 49.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.964 0.411 . . . . 0.0 110.701 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.0 t -60.84 148.97 37.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.119 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.14 -43.15 99.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.5 m -62.51 -49.49 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -60.31 -46.82 88.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -61.76 -38.32 87.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -72.67 -26.53 61.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.21 -12.66 61.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 p -87.75 5.68 38.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.948 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.76 147.44 48.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 110.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 p -132.85 160.28 37.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.21 117.16 32.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.066 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.55 147.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.529 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 53.37 18.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.723 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.14 24.01 69.95 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -66.19 127.78 33.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.21 136.77 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.5 m -72.6 145.95 46.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.23 154.35 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.401 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 p -92.36 -34.27 14.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.709 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -128.08 70.67 78.57 Favored Pre-proline 0 N--CA 1.466 0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.165 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.67 89.52 1.11 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.743 2.295 . . . . 0.0 112.177 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 91.56 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.65 162.8 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.956 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 80' ' ' CYS . 87.2 mt -115.38 159.74 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.927 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 3.3 m -78.24 169.47 18.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -70.26 -35.58 73.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.402 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 p -82.95 -25.81 32.0 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.772 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.285 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.724 0.297 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.92 136.03 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -84.58 135.24 34.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -99.08 124.69 44.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 p -95.07 -10.43 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.89 49.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.552 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.87 -6.3 14.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.96 38.96 3.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -129.16 141.06 51.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.0 m -81.22 133.39 35.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -135.89 146.29 47.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.68 167.25 54.48 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.5 pt -72.34 -16.35 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 0.0 110.591 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.11 -42.38 84.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 44.4 mp0 -94.11 14.99 18.25 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.526 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.442 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -119.88 130.44 54.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.435 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.464 ' OG ' ' OE1' ' A' ' 109' ' ' GLN . 5.5 p -58.79 147.86 31.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.058 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -64.99 -41.14 95.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.96 73.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.545 ' C ' ' H ' ' A' ' 111' ' ' HIS . 2.1 mp0 -63.34 -45.22 92.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -56.7 -3.08 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.545 ' H ' ' C ' ' A' ' 109' ' ' GLN . 75.5 m80 -114.92 21.23 14.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.411 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.21 158.73 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 10.3 mp -64.7 -40.8 95.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.02 94.79 48.72 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.03 0.206 . . . . 0.0 110.507 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -77.57 130.7 10.94 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.432 2.088 . . . . 0.0 111.846 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.442 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 85.1 mtt85 -108.59 128.26 54.67 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.381 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.421 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.6 p -60.06 150.73 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -50.09 -14.99 0.18 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 117' ' ' CYS . 77.9 mt -88.34 -40.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.83 -36.16 79.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -68.92 -36.55 74.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.481 ' O ' ' CG ' ' A' ' 122' ' ' HIS . 84.6 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.645 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.926 0.393 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.72 141.38 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.442 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.01 125.07 52.52 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' ' CE1' ' A' ' 54' ' ' TYR . 31.6 mm -111.65 128.04 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 110.251 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -104.57 138.35 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.999 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -90.34 152.22 21.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 111.872 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -82.16 2.12 33.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.423 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -107.2 -93.14 0.4 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 110.664 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -7.75 44.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 59.28 38.82 23.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.331 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.521 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 21.3 mttm -78.8 126.85 31.26 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.64 123.7 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.681 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -168.37 177.2 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -81.46 -171.68 45.71 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.39 -3.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.193 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 50' ' ' GLY . 66.2 t0 -73.98 -54.51 7.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -78.71 3.38 16.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 40' ' ' ILE . 6.8 m-85 -126.65 137.6 53.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.094 0.473 . . . . 0.0 110.555 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.2 p -70.56 154.7 41.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.379 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 60' ' ' SER . 21.0 m -62.75 -48.4 79.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -70.02 -40.91 74.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.446 ' O ' ' OG1' ' A' ' 62' ' ' THR . 83.8 t90 -64.21 -36.37 83.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.699 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' THR . 91.1 p -61.79 -22.4 65.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.3 -5.25 46.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 47.6 p -67.48 -10.33 50.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -145.95 155.46 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.435 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.4 p -125.78 175.61 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.982 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.513 ' CE1' ' OG1' ' A' ' 70' ' ' THR . 0.2 OUTLIER -120.99 144.06 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.155 -179.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.2 t -132.16 124.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.871 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.569 HH21 ' NH1' ' A' ' 69' ' ' ARG . 49.7 ptt85 34.18 36.14 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.05 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.79 32.26 13.44 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' NH1' HH21 ' A' ' 67' ' ' ARG . 62.4 ttp180 -134.7 121.24 20.51 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.944 0.402 . . . . 0.0 110.719 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.513 ' OG1' ' CE1' ' A' ' 65' ' ' PHE . 25.5 m -72.83 128.69 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.44 141.15 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.9 m -78.34 141.22 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.55 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.83 134.98 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 m -65.42 -40.16 93.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.935 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.25 84.1 8.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.512 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.35 118.66 4.34 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.297 1.998 . . . . 0.0 111.998 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.21 103.11 14.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.61 164.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -119.98 128.21 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.555 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 14.3 p -56.41 161.95 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.261 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -69.94 -22.71 63.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.555 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 12.8 p -80.33 -22.16 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.544 ' N ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.535 ' HG ' ' N ' ' A' ' 91' ' ' ILE . 45.8 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 121.009 0.433 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.535 ' N ' ' HG ' ' A' ' 90' ' ' SER . 89.2 mt -129.59 134.55 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -84.65 128.25 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.4 t -103.72 137.4 41.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.779 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p -98.76 -10.44 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.13 22.7 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -100.41 -31.79 11.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 79.22 26.77 0.42 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.11 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -140.82 156.56 46.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.2 m -85.28 138.88 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -135.59 146.84 48.36 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.312 0.577 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.33 169.04 50.18 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.024 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.05 -23.99 25.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.726 0.298 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -63.2 -42.77 99.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.144 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 80.0 mm-40 -88.83 13.91 11.51 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.44 139.11 54.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.495 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.6 m -77.49 161.9 27.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.408 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 107' ' ' LYS . 1.2 mptm? -70.06 -43.87 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -58.4 -26.03 62.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.21 0.528 . . . . 0.0 110.076 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -73.18 -37.24 66.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -60.57 -44.03 96.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.457 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.17 146.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.308 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 113' ' ' LEU . 9.6 mp -66.16 -23.23 66.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.479 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -125.38 82.4 62.77 Favored Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.3 142.21 94.77 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.554 2.169 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -128.79 120.98 27.35 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.639 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -54.31 152.65 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.022 0.439 . . . . 0.0 110.747 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.495 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.6 mp0 -54.89 -10.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.01 -48.15 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.8 OUTLIER -66.78 -30.55 70.79 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.046 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.5 -35.69 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.749 0.309 . . . . 0.0 110.566 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.754 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.6 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -49.27 -179.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.202 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -139.53 109.44 6.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 0.0 110.229 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.52 150.08 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ttt -88.91 135.28 33.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.421 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.36 147.87 37.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.5 ptm -94.69 -6.64 42.77 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -107.81 -63.15 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.75 0.31 . . . . 0.0 111.599 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 19.4 p -95.49 -3.44 46.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 55.23 29.63 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.747 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 tttm -91.72 121.2 33.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.67 133.19 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.334 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -168.08 172.54 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.926 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -103.85 -168.21 25.25 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 tt -50.42 -8.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.599 0.238 . . . . 0.0 111.459 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 50' ' ' GLY . 63.5 t0 -69.89 -46.88 64.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.751 0.31 . . . . 0.0 110.458 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.71 4.08 52.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.799 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.4 133.56 54.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 156.75 23.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.896 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -60.4 -40.46 91.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -62.37 -48.82 78.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 87.7 mt-30 -61.19 -44.57 97.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.73 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 1.8 t-105 -60.42 -38.44 84.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.139 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 m -66.06 -20.57 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -79.3 -24.94 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.572 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 73.0 p -68.55 -7.22 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.62 177.91 4.53 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.648 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.02 150.77 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.8 135.26 49.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.07 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 69' ' ' ARG . 47.0 t -132.39 112.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.041 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 40.62 42.86 1.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.09 68.49 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.0 tpt180 -118.83 123.45 44.78 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.231 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -73.02 125.01 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.328 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.64 139.9 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.3 t -79.1 147.62 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.29 134.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.368 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -63.17 -44.45 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.25 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -147.5 79.78 9.43 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -80.2 149.32 19.56 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.494 2.129 . . . . 0.0 112.219 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -120.09 105.2 10.78 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.205 0.526 . . . . 0.0 110.465 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.98 159.68 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.36 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.531 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 11.9 pt -109.54 160.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.515 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.8 p -80.35 166.99 20.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -60.96 -39.74 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.515 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 60.4 p -63.48 -29.82 71.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.607 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -125.93 132.32 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.228 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.73 123.3 30.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.521 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.05 132.83 35.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -90.88 -12.66 35.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.38 -17.54 27.07 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.471 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.04 -11.25 8.92 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 55.08 36.31 26.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.709 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -141.64 157.09 45.52 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -83.39 137.9 33.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -136.9 146.47 45.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.165 0.507 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.31 167.08 44.15 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.4 pt -77.2 -20.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.734 0.302 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -65.21 -42.34 93.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 96.2 mt-10 -84.17 17.32 2.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.64 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.91 141.12 51.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.31 0.576 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 107' ' ' LYS . 8.0 t -73.98 163.27 28.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.419 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.414 ' H ' ' HG ' ' A' ' 106' ' ' SER . 20.1 pttp -67.29 -27.81 67.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.58 -36.22 22.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -36.07 80.57 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -79.49 -8.43 59.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.439 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -94.03 -44.97 7.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.436 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.3 m -52.99 177.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.88 -15.7 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -133.84 77.65 62.58 Favored Pre-proline 0 C--N 1.332 -0.195 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.37 141.25 94.8 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.785 2.323 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -135.71 132.63 37.15 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.644 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.6 OUTLIER -60.76 150.81 31.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.493 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 7.6 mp0 -55.46 -10.21 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.167 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.432 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -87.81 -43.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.644 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -70.9 -30.56 66.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.972 -179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.3 m -70.81 -38.09 71.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 35.2 m170 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.725 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 147.6 53.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.6 mt -118.86 132.84 56.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.9 mp -107.51 140.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.3 ttt -95.92 122.09 38.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.427 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 t -70.56 137.18 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.229 0.538 . . . . 0.0 111.0 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -82.78 6.43 18.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -123.65 -91.46 0.55 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.365 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.7 p -64.85 -10.13 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.499 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 56.05 36.46 27.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.825 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.03 108.75 19.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.007 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -82.83 117.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -153.79 175.85 12.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.608 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -96.52 -168.69 34.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -52.29 -7.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 49.6 t0 -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -91.21 2.05 56.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 5.6 m-85 -127.22 137.58 52.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -75.46 164.55 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.407 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.22 -37.4 87.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.2 m -59.92 -51.33 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -75.85 -42.3 49.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.92 -40.75 89.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 m -81.37 -9.17 59.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 63' ' ' PHE . 10.9 ttmm -79.22 -33.67 43.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -68.99 10.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.5 m-85 -123.24 148.61 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.984 0.421 . . . . 0.0 110.271 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -128.96 159.21 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.251 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -109.01 115.47 30.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.11 148.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 54.45 18.96 2.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.22 24.35 66.27 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -134.19 162.52 31.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.396 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 m -86.96 126.74 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.19 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.48 152.53 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.568 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 p -78.55 159.5 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -90.1 132.13 35.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.264 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.9 t -62.13 -43.4 98.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -132.08 80.42 64.52 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.731 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.42 137.86 13.47 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.589 2.193 . . . . 0.0 111.955 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -120.89 95.27 4.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.167 0.508 . . . . 0.0 110.745 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.38 167.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 167.13 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.541 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -79.71 157.02 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 90.5 mtm180 -55.66 -42.36 74.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.101 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 m -59.83 -39.98 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.413 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 91' ' ' ILE . 80.4 mt -120.66 129.11 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.011 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -79.35 112.41 16.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 5.4 t -89.17 134.52 33.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.351 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.52 -7.97 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.235 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -90.34 -11.19 41.38 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 96.8 m -122.55 -34.96 3.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.423 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.4 tp60 80.72 35.83 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.494 0.496 . . . . 0.0 110.24 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.615 ' NE2' ' NZ ' ' A' ' 100' ' ' LYS . 18.0 pt20 -150.62 167.1 28.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.522 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 99' ' ' THR . 0.8 OUTLIER -82.52 141.21 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.615 ' NZ ' ' NE2' ' A' ' 98' ' ' GLN . 30.0 mmtm -136.91 144.96 43.75 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.977 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.32 168.3 54.81 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -80.67 -11.31 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.454 HD21 ' N ' ' A' ' 103' ' ' ASN . 1.5 m120 -64.9 -44.75 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.16 17.86 14.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.2 OUTLIER -123.13 136.78 54.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.018 0.437 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 m -67.59 149.28 50.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.408 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.42 -42.11 99.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.421 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.62 82.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.05 -17.95 59.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.587 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -84.53 -18.79 34.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -88.88 -40.41 13.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.293 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 m -55.61 152.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 0.0 110.599 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.18 -30.87 71.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.641 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -121.18 99.62 46.08 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.455 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.71 138.97 19.58 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.516 2.144 . . . . 0.0 112.074 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.93 126.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.445 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 66.9 m -43.1 142.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.524 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 3.3 tp-100 -45.47 -26.84 0.62 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.5 tp -89.4 -37.49 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.57 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.46 -40.64 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.229 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.9 -39.72 80.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.676 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 53.8 t0 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.944 0.402 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.01 143.18 58.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.502 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.43 123.55 44.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 110.425 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.563 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.6 mp -94.62 140.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.7 ttt -87.62 122.69 31.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.578 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 43.9 t -85.12 110.0 18.66 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -63.03 -8.72 7.96 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.031 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -85.36 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.23 15.58 28.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.732 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.2 mtt-85 42.97 29.18 0.17 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -89.54 136.7 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.61 118.69 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -146.55 167.36 23.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.253 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.98 -176.53 42.39 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.213 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -49.63 -11.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.153 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 50' ' ' GLY . 64.4 t0 -66.84 -42.17 86.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.089 0.471 . . . . 0.0 110.551 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -100.23 7.15 44.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.921 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -125.48 136.7 53.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.173 0.511 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.3 t -69.05 150.6 47.45 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -58.95 -40.32 84.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.03 -49.85 74.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.13 -38.22 81.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -67.45 -38.95 85.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -61.6 -12.86 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.37 -9.88 57.02 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.6 p -66.77 -1.87 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -158.57 161.09 37.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.4 p -133.71 170.19 15.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.143 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 122.77 47.31 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ARG . 57.9 t -130.73 132.65 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.328 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 46.92 28.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 25.42 66.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' VAL . 73.9 ttp85 -130.54 131.01 44.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.939 0.4 . . . . 0.0 110.593 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -65.55 129.48 39.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.289 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 135.06 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.4 p -81.26 133.23 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.321 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 75' ' ' ASP . 35.4 m -76.7 121.75 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -71.81 9.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.632 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 19.0 p-10 -148.89 68.14 9.55 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.33 89.36 1.32 Allowed 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.978 2.452 . . . . 0.0 111.389 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.24 91.89 6.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.7 160.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.079 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 79' ' ' ILE . 94.1 mt -104.18 156.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.2 p -82.14 169.61 16.43 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -75.35 -23.61 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 m -68.99 -39.17 79.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.287 -179.521 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.845 0.355 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.62 132.55 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -81.77 123.78 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.306 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -91.93 132.61 36.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -91.55 -9.68 43.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.873 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.26 -14.7 26.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.504 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.4 m -124.1 -10.58 7.6 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.273 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 55.18 38.6 30.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.77 162.24 38.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -86.04 143.03 28.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -137.64 145.6 42.88 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.197 0.522 . . . . 0.0 111.031 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 165.13 44.21 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.5 -23.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.279 . . . . 0.0 110.831 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.52 -41.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.148 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -83.5 14.9 3.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.756 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.2 m-85 -128.29 139.27 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.301 0.572 . . . . 0.0 110.689 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -86.64 174.28 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.533 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.85 -37.97 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.831 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.61 81.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 105' ' ' PHE . 36.0 mt-30 -58.27 -42.07 85.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -81.06 -22.2 39.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -69.11 -38.0 78.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.27 168.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.632 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.8 -9.0 58.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.448 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -133.97 77.91 61.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.63 141.26 96.81 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.961 2.441 . . . . 0.0 112.087 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 55.7 mtp85 -138.37 127.01 23.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.444 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.674 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -50.85 154.21 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.383 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.01 -10.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.897 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mm -88.95 -36.04 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.1 OUTLIER -77.42 -30.76 53.64 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.26 -38.61 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.728 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.967 0.413 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 137.2 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mp -111.2 132.97 53.9 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.003 0.43 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.8 mp -96.84 152.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.7 ttt -94.5 129.49 41.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.1 137.74 43.48 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.36 0.6 . . . . 0.0 111.709 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.06 3.84 19.02 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' A' ' 46' ' ' ARG . 27.0 mmt180 -121.36 -90.52 0.58 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 p -66.09 2.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' ARG . 88.5 mtm180 41.32 35.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -95.16 114.36 26.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.371 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.95 114.53 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.357 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -138.93 164.38 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.35 -175.17 41.96 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 tt -49.93 -9.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 50' ' ' GLY . 30.1 t70 -67.99 -42.65 80.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -100.0 -2.04 35.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.77 126.02 54.36 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -58.06 156.31 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.266 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.63 -47.45 86.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.6 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.7 m -62.49 -44.59 96.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -54.17 -35.63 62.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -84.33 -16.77 41.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 63' ' ' PHE . 14.4 ttmm -68.6 -37.05 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 p -68.82 12.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.535 ' H ' ' C ' ' A' ' 61' ' ' LYS . 80.9 m-85 -122.72 147.96 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -129.58 160.87 31.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.179 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.84 54.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.3 p -133.89 137.37 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.671 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 48.16 23.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.766 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.72 25.72 57.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' VAL . 36.7 mmt180 -127.11 149.37 49.97 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -81.07 124.39 29.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.365 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.52 137.49 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -74.53 149.68 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.06 130.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.256 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.0 p -69.09 -34.89 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.207 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -135.13 75.08 60.93 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.858 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -80.62 142.94 14.73 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.727 2.285 . . . . 0.0 111.954 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -129.11 100.7 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.01 156.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 HG21 HD13 ' A' ' 79' ' ' ILE . 92.0 mt -104.47 118.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.42 166.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -76.55 -19.32 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -75.67 -25.78 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.404 -179.616 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 100' ' ' LYS . 6.5 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -129.99 132.65 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.208 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -87.8 118.19 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.007 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.5 t -81.99 133.23 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.7 p -88.71 -16.48 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.581 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.29 -11.95 50.81 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.474 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.6 m -115.29 -35.32 4.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.332 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.7 tp60 80.26 28.89 0.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -141.84 159.18 42.76 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.972 0.415 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.4 m -78.33 128.14 33.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' OG ' ' A' ' 90' ' ' SER . 13.9 mptt -121.08 138.24 54.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.89 155.06 21.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -69.19 -36.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.803 0.335 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.06 -40.45 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -81.23 19.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.18 152.46 47.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -91.09 160.99 15.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.154 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.62 -41.39 79.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.888 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.07 86.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.728 ' NE2' ' H ' ' A' ' 116' ' ' ARG . 2.6 mm100 -58.24 -23.93 57.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.362 0.601 . . . . 0.0 110.839 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -79.55 -25.75 41.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.44 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.31 -40.65 70.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.97 151.99 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.81 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.727 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -121.51 85.87 43.74 Favored Pre-proline 0 N--CA 1.465 0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.479 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.89 145.99 94.98 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.759 2.306 . . . . 0.0 111.976 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.728 ' H ' ' NE2' ' A' ' 109' ' ' GLN . 96.2 mtt180 -127.84 140.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 119' ' ' ILE . 28.8 p -71.12 149.75 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -50.94 -12.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.625 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.475 ' H ' ' C ' ' A' ' 117' ' ' CYS . 15.0 mm -89.28 -42.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 4.6 m -66.63 -33.32 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 10.4 m -72.67 -41.97 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 121' ' ' VAL . 36.5 m-70 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.434 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.017 0.437 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.08 134.48 38.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.653 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.0 mt -126.98 118.76 25.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.22 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 2.7 mp -102.82 138.99 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.438 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 ttp -91.53 136.98 32.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -79.72 141.37 36.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.675 0.75 . . . . 0.0 111.753 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 ppp? -81.22 -2.98 50.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -89.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 110.891 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.93 -0.9 3.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 46.98 35.49 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -88.57 126.07 35.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.59 126.64 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.413 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -161.99 172.99 15.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.194 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -93.35 -169.29 39.02 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.42 -5.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 50' ' ' GLY . 58.2 t0 -71.82 -48.35 46.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -92.38 -0.41 57.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.843 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.84 126.44 52.41 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -60.67 155.68 18.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.228 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.82 -43.2 99.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -63.57 -49.67 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.42 -41.63 96.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.499 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -63.08 -37.37 86.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 m -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.33 -20.42 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.514 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 58.3 p -76.59 -2.28 31.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 79.7 m-85 -123.41 145.31 48.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.972 0.415 . . . . 0.0 110.005 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p -127.78 158.61 37.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.138 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 120.31 40.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.497 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.49 132.21 68.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.344 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 50.91 27.53 3.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.79 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.0 18.77 78.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -122.79 145.04 48.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.587 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.6 m -77.46 124.0 27.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.224 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.89 134.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.504 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -69.83 141.26 53.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.35 138.66 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.268 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -69.73 -42.67 73.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.27 78.95 75.11 Favored Pre-proline 0 N--CA 1.465 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.37 112.9 3.27 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.574 2.182 . . . . 0.0 112.068 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -116.99 104.56 11.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 109.924 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 160.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 20.4 mm -102.65 114.76 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.5 p -54.84 162.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 84.8 mtm180 -55.06 -44.04 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.496 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -57.98 -45.3 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.747 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.294 179.596 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.771 0.32 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -126.75 136.58 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -78.6 126.83 31.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.66 134.98 48.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.149 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.9 p -88.68 -24.94 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.46 74.21 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -101.0 -18.16 16.41 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 57.96 32.61 22.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.12 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -144.2 163.78 32.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.9 m -72.79 133.86 44.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -129.2 133.09 47.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.565 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.95 160.47 15.3 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -72.84 -35.46 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.939 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -57.08 -40.65 77.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.343 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -84.41 29.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.426 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -138.27 158.11 44.94 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.687 -179.843 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -92.64 168.77 11.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -76.89 -42.11 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.79 74.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -54.43 -31.89 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.149 0.5 . . . . 0.0 110.334 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -77.74 -7.14 56.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -92.84 -38.31 11.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.47 157.27 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.345 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.82 -36.44 83.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.732 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -115.72 101.38 54.14 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.046 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.73 134.84 12.39 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 122.236 1.957 . . . . 0.0 111.811 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.444 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 81.5 mtt-85 -129.26 140.28 51.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.418 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 m -53.73 148.98 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.14 -20.07 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.1 mm -88.97 -20.03 7.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.4 m -83.5 -31.3 26.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.09 -44.38 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.379 -179.726 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.706 0.289 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.41 179.23 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.446 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -135.37 108.59 7.75 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.71 143.79 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 ttt -89.84 134.44 34.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -77.62 136.43 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ptm -79.39 3.41 18.45 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.549 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.47 -91.87 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 47' ' ' LYS . 30.2 p -63.84 -8.95 12.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.905 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 56.2 36.12 26.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 45' ' ' CYS . 40.3 mmtm -94.88 116.68 29.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.1 t -83.39 131.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.534 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -168.8 178.19 4.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.404 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.569 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -105.64 -167.18 23.54 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.326 -0.709 . . . . 0.0 111.326 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.54 -2.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' A' ' 50' ' ' GLY . 20.8 p-10 -72.67 -55.97 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.989 0.423 . . . . 0.0 110.592 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.446 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 44.7 m -96.05 4.69 52.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.468 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.91 121.23 40.86 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -41.02 142.49 0.49 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.625 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.46 -41.52 98.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.71 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -60.41 -42.11 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.64 -37.36 87.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' A' ' 62' ' ' THR . 1.1 t-105 -59.94 -40.7 89.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.989 0.423 . . . . 0.0 110.797 -179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -62.97 -23.53 67.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.82 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.66 -24.97 41.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 63.5 p -67.77 -11.72 59.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -106.98 179.97 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.96 155.41 34.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.271 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 129.61 56.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.8 p -134.8 132.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 43.32 29.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.39 27.02 58.36 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.5 mtt180 -124.48 140.18 53.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.315 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -77.47 126.3 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.15 152.17 25.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.406 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -87.58 147.12 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.03 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 39.0 t -61.48 -44.49 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 74' ' ' SER . 29.4 m-20 -133.51 79.81 58.94 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.45 109.26 0.37 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.534 2.156 . . . . 0.0 112.158 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -115.95 94.65 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.534 0.683 . . . . 0.0 109.993 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.42 161.61 14.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.929 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.71 151.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.246 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.0 p -87.94 179.58 6.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.132 0.491 . . . . 0.0 110.802 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 99.7 mtt180 -66.96 -55.9 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 72.6 p -48.84 -45.69 41.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.77 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.734 179.483 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -126.69 130.03 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -85.69 111.47 20.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.9 t -73.89 132.82 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 p -89.42 -16.57 30.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.583 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.67 -11.57 53.46 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 85.0 m -117.05 -36.49 3.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.8 tt0 82.42 32.47 0.09 Allowed 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.617 0.573 . . . . 0.0 110.246 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -145.47 159.06 43.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -72.6 134.35 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 12.5 tptp -125.28 134.93 52.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.04 155.48 30.76 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.98 -36.51 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -56.3 -44.01 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.743 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 96.6 mt-10 -84.16 22.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.655 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -126.1 145.91 50.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.628 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 10.0 m -81.95 146.8 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.34 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.77 -39.02 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.782 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.23 89.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 111' ' ' HIS . 75.2 mt-30 -63.41 -53.57 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -39.73 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 0.0 110.755 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 109' ' ' GLN . 78.6 t60 -65.99 -40.86 91.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.851 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' GLN . 20.5 m -61.16 157.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.733 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.22 -22.03 62.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 26.0 p-10 -125.32 81.36 63.94 Favored Pre-proline 0 N--CA 1.467 0.386 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.364 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.73 142.59 82.65 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 111.97 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.47 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 96.1 mtt-85 -126.09 141.18 52.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 119' ' ' ILE . 25.3 p -75.16 153.52 38.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.532 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 95.5 mm-40 -50.88 -12.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.912 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.571 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.6 mp -89.97 -40.18 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 4.8 m -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 11.5 m -70.86 -42.06 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.703 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.417 ' N ' ' CG2' ' A' ' 121' ' ' VAL . 39.8 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.579 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 p30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.831 0.348 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.22 154.47 31.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.9 mt -113.27 131.42 55.93 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.824 0.345 . . . . 0.0 110.215 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.0 127.77 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.464 ' CE ' ' HE ' ' A' ' 46' ' ' ARG . 24.0 ttt -89.88 131.92 35.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.061 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 t -86.02 129.93 34.69 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 122.039 0.923 . . . . 0.0 111.5 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptm -79.98 5.39 14.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -118.22 -89.23 0.6 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.566 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.3 p -67.69 -17.17 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HE ' ' CE ' ' A' ' 41' ' ' MET . 47.0 ttt180 66.47 36.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.586 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -90.61 117.0 28.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.88 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.51 122.4 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.429 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -151.92 170.52 19.65 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.787 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -90.07 -174.67 45.25 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -53.4 -7.87 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 50' ' ' GLY . 96.6 m-20 -69.31 -44.68 71.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.405 0.622 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 p -91.53 4.18 53.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.47 138.45 53.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.751 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 t -72.85 159.27 34.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.501 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.69 -39.8 89.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.3 m -62.53 -50.4 71.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -67.18 -45.17 77.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.441 ' O ' ' OG1' ' A' ' 62' ' ' THR . 70.8 t90 -62.66 -37.75 87.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 0.0 110.623 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 m -57.04 -14.45 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -85.79 -11.39 53.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 41.7 p -65.27 -13.18 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.488 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -142.8 152.93 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -122.94 166.6 14.8 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.2 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.66 134.01 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.567 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 52.73 25.4 3.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.86 25.07 65.42 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 mtp-105 -132.07 152.92 50.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -81.9 125.13 30.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -131.25 132.84 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -68.38 141.16 55.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.58 142.58 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.33 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.0 m -58.89 -43.66 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -145.82 86.63 7.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.91 116.13 2.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.557 2.171 . . . . 0.0 111.974 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.34 95.35 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.439 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.21 162.83 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.69 144.82 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.512 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 4.3 p -89.02 163.34 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.01 -52.02 67.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.733 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.512 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 4.6 p -49.25 -38.73 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.12 179.489 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.645 0.26 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.3 mt -126.29 131.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.205 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -80.62 126.81 31.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.4 t -104.22 135.75 45.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -98.56 -5.62 31.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.72 -20.76 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 74.7 m -113.01 -34.74 5.64 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 8.6 tt0 81.79 30.43 0.13 Allowed 'General case' 0 N--CA 1.461 0.097 0 O-C-N 123.444 0.465 . . . . 0.0 110.729 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -142.44 157.78 44.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.2 m -81.15 119.12 23.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -111.7 139.56 47.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.02 163.55 24.97 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.433 ' CG1' ' NH2' ' A' ' 110' ' ' ARG . 17.5 tt -74.68 -29.37 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.95 -42.2 97.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.785 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -82.62 16.8 2.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.94 137.6 53.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.426 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.482 ' HG ' ' CD ' ' A' ' 109' ' ' GLN . 76.5 p -84.23 171.97 12.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.506 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -72.31 -38.0 68.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.605 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.13 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 20.1 mt-30 -69.67 -9.18 53.25 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.227 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.433 ' NH2' ' CG1' ' A' ' 102' ' ' ILE . 39.3 ttm180 -89.65 -36.76 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.83 0.348 . . . . 0.0 110.585 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -71.16 -43.79 66.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -47.8 144.73 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.67 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.9 tp -65.16 -23.04 67.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -119.6 85.2 32.08 Favored Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.43 139.2 74.54 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.535 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 80.3 mtp85 -134.48 113.62 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.678 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.5 m -52.02 152.51 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.4 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mm-40 -48.3 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.821 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.56 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -89.39 -61.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 1.4 p -59.84 -37.6 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.958 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 122' ' ' HIS . 10.6 p -71.9 -48.68 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.491 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 55.2 t-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.62 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.576 ' N ' ' SD ' ' A' ' 31' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.15 36.63 0.09 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.26 -45.36 93.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.528 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -164.35 -0.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.647 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 18.9 p-10 -86.97 2.09 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.56 6.03 42.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -90.58 11.39 22.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.43 138.51 58.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.446 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mt -123.06 117.51 25.61 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 110.379 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.7 mm -96.41 128.6 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.72 133.97 38.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.71 135.27 34.02 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -88.51 -6.81 57.36 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 110.601 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.34 -60.85 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.8 p -107.5 20.2 19.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 40.84 36.88 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.027 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -108.08 134.38 51.04 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.294 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.9 t -101.6 128.93 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.026 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -145.21 170.6 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.69 -175.0 36.88 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -54.25 -6.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -74.15 -55.29 6.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 9.38 17.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.497 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -123.2 127.55 48.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.1 t -59.73 148.78 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.123 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.64 -40.14 86.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.5 p -64.12 -46.7 83.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.658 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.75 -42.19 82.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.401 . . . . 0.0 110.736 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.458 ' O ' ' OG1' ' A' ' 62' ' ' THR . 74.2 t90 -62.46 -36.92 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -61.16 -30.7 70.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.03 -7.56 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 77.6 p -70.38 -18.48 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -144.5 153.43 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 p -128.0 172.39 10.97 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.77 122.29 45.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.336 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ARG . 56.4 t -130.85 134.34 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.618 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 46.45 26.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.61 27.44 63.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' VAL . 61.3 ttt85 -133.2 133.68 43.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.905 0.383 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.6 m -64.42 131.39 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 m -138.22 141.22 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.657 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -82.13 132.78 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.2 140.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -63.03 -42.23 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -149.25 83.54 6.54 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.562 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.53 118.69 3.58 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.725 2.283 . . . . 0.0 111.802 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -98.83 114.04 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 m -143.69 166.17 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.349 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.0 pt -126.53 170.4 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.761 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 m -75.46 163.99 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.721 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.86 -35.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.425 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -25.67 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m -67.42 -32.22 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.03 148.44 78.56 Favored Pre-proline 0 N--CA 1.453 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.09 153.75 74.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.608 2.206 . . . . 0.0 112.066 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -155.68 101.71 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -143.15 150.59 39.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.487 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -149.13 140.53 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.11 147.36 48.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.6 p -146.61 167.7 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 132.52 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -79.0 127.48 32.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.1 t -104.26 136.37 43.99 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.212 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -4.05 29.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.06 62.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.747 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.41 -5.03 7.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 60.04 45.41 12.04 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.435 0.46 . . . . 0.0 111.001 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -75.99 133.02 40.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -138.09 148.8 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.42 172.68 54.53 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 pt -79.82 -11.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -66.61 -45.2 79.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.98 14.55 17.33 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.94 124.4 44.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.939 0.399 . . . . 0.0 110.394 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 107' ' ' LYS . 48.5 t -61.19 153.03 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.429 ' N ' ' HG ' ' A' ' 106' ' ' SER . 59.3 tttm -62.51 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.636 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.78 84.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -63.44 -24.25 67.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -80.74 -33.95 34.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -67.98 -45.76 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.332 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.49 160.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.514 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.3 mt -81.88 -11.15 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.741 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -133.37 77.82 64.89 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.077 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.83 142.96 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.762 2.308 . . . . 0.0 112.134 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' A' ' 124' ' ' GLN . 97.0 mtt180 -132.05 128.17 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.6 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.2 m -48.47 145.68 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.36 -19.87 39.09 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.8 mp -90.23 -36.52 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.97 -37.3 85.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.065 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.9 m -64.19 -38.32 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.665 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 122' ' ' HIS . 86.5 t60 -81.55 3.24 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 119' ' ' ILE . 4.7 m -110.29 -29.73 8.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.59 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.53 ' C ' ' H ' ' A' ' 126' ' ' ASN . 43.3 tt0 -95.99 2.98 53.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 110.339 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.4 ' O ' ' OXT' ' A' ' 126' ' ' ASN . 22.5 mmt85 58.34 3.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.566 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 124' ' ' GLN . 64.5 t-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.405 ' CG ' ' H ' ' A' ' 32' ' ' GLY . 4.6 ptp . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' H ' ' CG ' ' A' ' 31' ' ' MET . . . -59.44 -23.96 58.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -69.17 144.31 53.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.457 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 59.2 t-20 -76.65 143.65 39.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.512 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 65.0 m-20 -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.981 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -64.66 -41.56 96.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -99.19 15.8 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 178.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.575 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.5 mt -137.13 109.74 7.49 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.236 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 40' ' ' ILE . 49.6 mm -103.41 145.5 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.479 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.4 mtp -80.77 143.39 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.561 ' C ' ' H ' ' A' ' 44' ' ' ARG . 52.5 t -83.49 119.74 25.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 mtm -54.03 -4.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.059 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.561 ' H ' ' C ' ' A' ' 42' ' ' CYS . 9.8 mpt_? -112.84 -85.23 0.58 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.949 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.4 p -79.14 0.61 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 44.47 45.54 7.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.292 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -101.75 100.66 11.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.04 124.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.519 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -142.05 148.33 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.377 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.16 -179.79 28.67 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.4 -15.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.278 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.95 -49.67 23.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 110.786 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.59 6.0 45.56 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HH ' ' N ' ' A' ' 80' ' ' CYS . 1.9 m-85 -127.79 139.71 52.49 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.303 0.573 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -64.74 150.82 46.62 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.836 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -62.0 -35.93 80.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.533 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -62.22 -48.71 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 54.5 mt-30 -67.65 -42.06 82.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.455 ' O ' ' OG1' ' A' ' 62' ' ' THR . 7.3 t-105 -60.73 -38.23 84.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' PHE . 8.1 t -60.45 -20.58 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -79.04 -17.35 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.942 0.401 . . . . 0.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 70.7 p -70.7 -19.12 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 60' ' ' SER . 36.5 p90 -147.95 157.77 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 p -131.27 171.77 12.94 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.265 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -113.45 113.76 25.62 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.006 0.432 . . . . 0.0 109.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.8 m -133.79 148.3 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.637 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 53.21 18.78 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.455 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.02 25.4 69.18 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -136.46 143.12 43.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 0.0 110.623 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -68.27 126.62 30.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.237 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.97 133.87 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.004 0.431 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 p -77.36 149.79 35.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.293 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.518 ' C ' ' H ' ' A' ' 75' ' ' ASP . 57.4 t -93.09 117.46 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -65.89 6.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.518 ' H ' ' C ' ' A' ' 73' ' ' VAL . 32.6 t70 -141.87 67.78 23.24 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.507 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.11 85.24 1.71 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.698 2.266 . . . . 0.0 111.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -101.05 98.99 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.153 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.7 159.68 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 84.2 mt -105.02 155.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.652 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.489 ' N ' ' HH ' ' A' ' 54' ' ' TYR . 14.2 p -86.28 164.22 17.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.932 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.451 HH21 ' C ' ' A' ' 54' ' ' TYR . 99.5 mtt180 -66.47 -23.47 66.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -72.79 -44.5 61.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 72.1 m -84.22 -12.45 54.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.444 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mm-40 -51.71 -62.38 3.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.099 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 84' ' ' GLN . 27.4 Cg_endo -59.89 108.07 0.45 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.255 1.97 . . . . 0.0 111.959 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -135.75 76.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -138.22 143.17 40.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.395 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -149.21 85.68 1.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.286 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -65.39 127.64 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.147 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 p -137.27 158.01 45.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -124.63 133.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.377 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 93' ' ' CYS . 8.5 t-105 -81.98 138.18 34.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.405 ' N ' ' CD1' ' A' ' 92' ' ' TRP . 13.8 t -113.96 133.3 55.56 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.5 p -89.9 -21.53 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.406 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.49 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.669 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.64 -22.88 14.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 69.05 35.24 2.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.06 162.06 39.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.5 m -78.93 139.19 38.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.364 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -134.26 140.46 46.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.398 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.35 157.97 31.96 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.8 tt -71.79 -31.49 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.38 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.64 -41.28 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -85.12 22.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.701 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -127.19 144.97 50.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.477 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 107' ' ' LYS . 14.7 t -78.06 154.71 31.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.422 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 106' ' ' SER . 55.7 mtpt -74.84 -40.56 60.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.038 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.69 80.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.769 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 111' ' ' HIS . 2.5 mp0 -58.81 -53.31 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.443 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -40.23 -23.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 110.773 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' GLN . 53.6 t-80 -67.49 -41.23 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' GLN . 17.7 m -66.76 164.55 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.1 mt -85.98 -7.45 58.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.8 p-10 -135.39 74.88 59.72 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.077 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.49 137.22 72.29 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.594 2.196 . . . . 0.0 111.964 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.476 ' NH1' ' O ' ' A' ' 125' ' ' ARG . 54.3 mtm180 -124.36 133.6 53.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.574 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -61.49 151.91 31.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -55.99 -9.66 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.434 ' H ' ' C ' ' A' ' 117' ' ' CYS . 5.4 mm -88.19 -39.62 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.983 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -75.25 -28.88 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.547 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 m -72.17 -40.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.943 0.402 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -82.47 -1.84 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 t -87.02 -70.59 0.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 126' ' ' ASN . 78.9 mt-30 -140.19 37.74 1.92 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.476 ' O ' ' NH1' ' A' ' 116' ' ' ARG . 84.8 mtp180 44.57 -96.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.708 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' GLN . 98.7 m-20 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.522 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.16 23.81 67.73 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -127.1 144.08 51.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.661 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.69 161.89 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -61.84 -41.17 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.557 ' C ' ' H ' ' A' ' 38' ' ' ALA . 12.2 m120 -64.59 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -64.4 5.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -61.67 145.96 50.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.114 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.84 128.06 56.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.193 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.59 127.65 63.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.4 ttt -87.52 132.02 34.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 t -81.84 123.99 29.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 ptm -69.07 1.43 3.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.811 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -111.35 -87.91 0.53 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.31 14.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' ARG . 35.9 mmt180 39.39 35.24 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.48 124.27 36.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -99.61 130.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -161.63 171.79 17.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.992 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.99 -171.41 40.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 tt -52.04 -6.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.604 0.24 . . . . 0.0 111.367 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 50' ' ' GLY . 47.6 t0 -70.94 -48.71 51.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.775 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 p -89.05 4.09 49.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -123.76 135.15 53.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.904 0.383 . . . . 0.0 110.732 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -69.46 159.35 33.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.23 -42.12 94.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.173 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -50.2 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.666 ' NE2' HE22 ' A' ' 84' ' ' GLN . 89.2 mt-30 -64.51 -42.51 95.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.443 ' O ' ' OG1' ' A' ' 62' ' ' THR . 56.6 t90 -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.58 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -60.49 -22.47 63.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.73 -10.08 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.498 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 68.7 p -70.77 -17.0 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.811 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -144.29 155.41 43.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.06 170.69 9.06 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.67 121.17 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.07 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 63.7 t -126.66 127.32 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.888 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 41.5 35.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.69 29.43 63.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 66' ' ' VAL . 39.6 ttm180 -128.22 129.52 46.56 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 110.347 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -69.33 127.55 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.29 132.54 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.4 t -76.13 140.59 41.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -70.0 141.65 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.331 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.9 p -69.8 -38.49 76.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -144.6 80.47 11.71 Favored Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.78 117.87 3.7 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.523 2.149 . . . . 0.0 112.231 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -107.99 107.95 18.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -144.98 157.48 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.027 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.43 HD13 HG22 ' A' ' 79' ' ' ILE . 94.8 mt -99.47 154.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.536 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 13.8 p -82.57 170.06 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 110.943 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.66 -36.18 78.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.484 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.536 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 36.4 p -65.63 -35.09 79.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.191 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.1 m -73.89 -5.01 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.666 HE22 ' NE2' ' A' ' 58' ' ' GLN . 81.2 mt-30 -116.68 76.01 7.34 Favored Pre-proline 0 N--CA 1.468 0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.497 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.49 26.99 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.411 2.074 . . . . 0.0 112.073 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 84' ' ' GLN . 87.6 tttt -60.65 -38.72 85.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.327 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -80.33 132.36 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -86.27 12.96 8.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 90' ' ' SER . 38.7 p30 -63.48 -26.18 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.534 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 30.3 p -140.89 156.72 46.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.424 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.9 mt -130.92 136.64 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.414 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -75.8 123.78 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.579 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.9 t -99.91 131.78 45.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.91 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.6 p -92.28 -11.01 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.155 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.84 -25.69 27.9 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 97.1 m -104.88 -37.92 6.83 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.647 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 81.88 35.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.622 -178.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -150.61 165.85 32.08 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 m -75.14 140.31 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.232 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -136.34 140.76 43.54 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.72 167.51 29.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.4 tp -78.84 -27.3 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.689 0.28 . . . . 0.0 111.339 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 33.4 p-10 -61.2 -43.64 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.171 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 97.0 mt-10 -81.28 20.11 0.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 0.0 110.394 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.501 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.4 m-85 -134.67 148.45 50.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.544 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.2 m -93.56 173.42 7.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.315 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -76.61 -33.48 58.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.994 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.197 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -57.36 -21.97 39.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 110.197 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -72.79 -37.31 67.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.331 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.19 -44.52 91.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.31 149.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.1 mt -76.62 -11.5 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.715 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 20.7 p-10 -129.76 80.25 71.86 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.1 144.39 99.39 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.654 2.236 . . . . 0.0 111.84 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.2 mtm-85 -139.59 123.25 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.414 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.501 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 4.0 m -41.61 154.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.544 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.7 mm100 -57.91 -21.15 42.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mm -88.86 -20.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.62 -35.0 30.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.199 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 110.583 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -85.97 9.8 15.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -93.77 -55.73 3.14 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.546 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 126' ' ' ASN . 18.6 pt20 -141.84 22.67 2.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 48.61 -94.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' GLN . 28.2 p30 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.602 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.51 -69.84 0.19 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -81.0 -13.06 59.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.887 0.375 . . . . 0.0 110.637 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.677 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -150.63 81.2 1.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.68 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.13 -1.66 57.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -89.65 13.98 12.8 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.14 144.94 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.57 125.38 54.2 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.9 mm -93.49 126.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.571 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.9 ttt -81.91 131.04 35.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.427 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.56 127.17 33.91 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.517 0.675 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.513 ' O ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.8 -0.75 5.8 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.543 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -118.67 -76.64 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.602 0.239 . . . . 0.0 111.503 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.4 p -82.32 0.1 43.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 38.67 41.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -99.09 86.6 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.474 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.6 m -46.24 129.91 2.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -144.76 147.93 33.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.568 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.52 175.6 52.35 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 tt -52.88 -15.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.54 -45.51 65.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 111.205 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.41 4.3 54.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.452 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -121.65 133.34 54.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 147.62 34.98 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.43 -40.66 95.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.598 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -62.12 -47.32 85.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.66 -40.73 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.457 ' O ' ' OG1' ' A' ' 62' ' ' THR . 50.6 t90 -62.47 -37.06 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -62.92 -21.22 65.88 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.47 -10.83 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.426 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 50.9 p -75.55 -15.28 60.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.971 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -148.38 159.25 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 p -128.75 172.66 11.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.62 116.68 32.37 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' ARG . 73.1 t -128.66 132.3 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.064 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 45.1 33.73 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.282 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.52 73.29 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 66' ' ' VAL . 60.7 ttt85 -132.14 133.04 43.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.865 0.364 . . . . 0.0 110.535 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.0 m -67.17 128.93 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.68 127.86 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 p -73.18 151.66 41.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' A' ' 75' ' ' ASP . 58.7 t -99.42 117.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -71.89 19.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.752 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 73' ' ' VAL . 22.0 t70 -150.13 63.97 6.51 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.29 80.62 3.03 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.45 2.1 . . . . 0.0 111.625 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -101.94 95.1 6.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 109.806 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.29 163.87 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.009 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.78 123.62 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.1 p -65.1 169.93 4.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.81 -37.68 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 m -60.93 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.005 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.2 -10.24 59.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -78.26 131.15 69.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.625 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -72.3 160.67 46.47 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.887 1.725 . . . . 0.0 112.097 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -44.42 142.4 1.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.545 ' CD ' ' H ' ' A' ' 87' ' ' GLN . 1.5 pm0 -43.74 135.11 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -66.22 -38.33 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 90' ' ' SER . 26.8 t70 -153.43 177.91 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t -136.47 157.65 46.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.471 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.87 130.78 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -86.29 130.01 34.66 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.98 143.36 30.28 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.371 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 p -101.79 -12.49 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.979 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.19 -11.62 29.99 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -127.09 -5.83 6.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.161 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 50.06 26.25 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.033 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -132.13 142.67 49.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 40.4 m -91.74 129.67 37.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -127.97 159.99 33.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.67 170.99 45.25 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.1 pt -73.46 -20.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.313 . . . . 0.0 110.737 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.51 -41.51 98.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -90.7 18.53 6.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -129.56 147.26 51.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 t -75.81 152.8 37.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.431 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.93 -42.7 94.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.77 88.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 116' ' ' ARG . 88.3 mm-40 -62.17 -30.35 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -79.81 -21.89 43.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.593 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 14.6 t-80 -91.17 17.76 7.77 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 m -134.46 160.42 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.0 36.15 0.81 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -163.33 59.39 0.82 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -67.4 138.75 47.29 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.194 1.929 . . . . 0.0 112.465 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.509 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mtt-85 -136.11 115.32 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.108 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -42.87 150.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.792 0.33 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.518 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 87.1 mt-30 -53.93 -9.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.79 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.469 ' H ' ' C ' ' A' ' 117' ' ' CYS . 94.0 mt -88.89 -49.9 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.667 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.7 OUTLIER -63.71 -27.41 69.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.495 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 13.6 m -71.1 -43.55 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.099 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 68.7 m80 -80.64 -3.11 49.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.901 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 119' ' ' ILE . 13.3 m -106.84 -65.49 1.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.2 28.14 1.99 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 54.59 -169.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.562 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtp . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.02 37.28 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.86 135.28 54.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 135.95 33.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -86.93 -4.9 59.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' ALA . 97.2 m-20 -89.94 8.84 30.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.29 19.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -62.65 143.25 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.67 111.38 15.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.09 133.12 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.421 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 ptm -82.58 135.8 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.26 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -82.05 118.42 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -64.52 -2.29 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.44 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -85.79 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 47' ' ' LYS . 28.2 p -109.69 4.76 22.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' CYS . 99.7 mtt180 55.5 41.31 30.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.409 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CD ' ' SG ' ' A' ' 45' ' ' CYS . 6.7 mtpm? -97.87 130.45 44.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.073 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -91.78 121.21 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.653 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -150.65 165.31 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.201 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -100.68 -168.77 28.69 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.28 -4.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.306 . . . . 0.0 111.619 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 50' ' ' GLY . 95.9 m-20 -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.627 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.72 5.74 20.34 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.509 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.94 125.94 48.71 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.918 0.39 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -63.24 155.09 29.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.989 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.0 p -60.71 -47.6 85.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -68.61 -51.58 40.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.473 ' O ' ' OG1' ' A' ' 62' ' ' THR . 76.2 t90 -55.65 -34.23 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 m -61.32 -34.87 75.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.198 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -7.38 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.456 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 80.8 p -68.93 -19.97 64.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -139.37 148.77 43.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.12 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.0 p -124.06 165.53 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.72 123.07 44.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.009 0.433 . . . . 0.0 110.335 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.48 135.43 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.226 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 52.7 23.8 2.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.957 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.29 17.55 66.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -130.51 150.49 51.69 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.687 0.28 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -80.92 131.9 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.94 128.48 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.906 0.384 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.6 p -63.95 128.83 37.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.073 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.57 134.68 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.149 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -60.2 -41.91 93.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.0 80.93 8.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.752 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.12 144.81 23.97 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.169 1.913 . . . . 0.0 112.002 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -116.74 115.73 26.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.95 165.28 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.44 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 80' ' ' CYS . 76.4 mt -124.98 163.9 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.397 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 4.0 m -76.52 158.57 31.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.35 -37.7 88.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.249 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -74.35 -37.77 63.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.217 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.32 -30.08 66.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.971 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -45.16 150.42 0.79 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -42.98 161.35 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 112.296 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -63.11 136.66 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -146.28 -22.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.454 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -105.21 105.59 15.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' ILE . 40.2 p-10 -88.98 -0.21 57.21 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 p -133.1 149.86 52.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.4 mt -132.12 135.91 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -84.53 124.65 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 t -101.55 137.11 40.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 p -97.29 -12.06 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.37 24.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.81 -30.3 12.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 77.4 26.57 0.69 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -139.92 157.2 46.07 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.4 m -81.14 126.8 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -118.28 136.53 53.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.167 0.508 . . . . 0.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.05 168.73 23.87 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 89' ' ' ASP . 20.5 tt -67.98 -32.48 56.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 111.006 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -62.88 -41.17 99.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -79.82 10.39 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.08 140.1 52.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.527 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 26.9 m -80.84 165.58 21.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -75.19 -43.57 51.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.885 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.14 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' A' ' 111' ' ' HIS . 2.7 mm100 -69.63 -61.14 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.795 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -56.56 -5.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 81.2 t60 -94.53 18.54 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.801 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.58 164.36 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.7 -41.33 99.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.24 95.8 40.28 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.409 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -75.91 138.06 20.48 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.63 1.554 . . . . 0.0 112.351 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -126.73 128.82 47.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.758 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -56.39 149.23 17.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.527 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 5.6 mp0 -53.22 -10.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 117' ' ' CYS . 20.6 mm -88.14 -48.01 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -65.86 -31.43 72.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.947 -179.143 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 125' ' ' ARG . 11.0 m -68.38 -40.66 82.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.053 0.454 . . . . 0.0 110.65 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -45.52 -52.98 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.193 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 p -91.12 -51.68 5.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -90.78 40.44 1.02 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.708 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' VAL . 52.9 ptt85 -42.15 141.28 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.672 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.6 p30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.526 ' N ' ' SD ' ' A' ' 31' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.07 12.43 76.68 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -133.8 120.71 20.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.863 0.364 . . . . 0.0 110.559 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 54.61 31.2 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.07 -48.53 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 38' ' ' ALA . 85.8 m-20 -65.06 -37.15 86.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -69.36 8.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -72.08 154.38 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.298 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.7 mt -119.09 127.2 53.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.453 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 40' ' ' ILE . 28.4 mm -100.64 131.05 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.451 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.5 ttt -81.21 130.1 34.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.454 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' C ' ' H ' ' A' ' 44' ' ' ARG . 49.0 t -81.29 118.64 22.79 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 121.365 0.602 . . . . 0.0 110.716 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -62.6 -0.46 0.62 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.691 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' A' ' 42' ' ' CYS . 12.2 tpt180 -109.62 -84.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.623 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.1 p -79.8 -3.3 47.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.837 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 52.77 42.13 31.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -102.42 93.69 5.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.39 120.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.477 ' CB ' ' OG ' ' A' ' 53' ' ' SER . 28.2 mmtp -139.72 164.22 30.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.4 -175.4 43.35 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -56.18 -5.85 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.093 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 50' ' ' GLY . 26.6 p-10 -74.42 -50.5 18.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.88 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -91.3 1.69 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.83 129.44 55.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -59.7 152.65 22.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.192 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -57.59 -38.52 75.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -50.04 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 87.4 mt-30 -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.566 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 90.4 t90 -63.81 -39.37 94.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.2 p -70.82 -28.58 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -64.96 -28.39 69.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.538 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 70.1 p -66.62 -7.49 20.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.167 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.538 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 71.7 m-85 -119.59 141.89 48.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.983 0.42 . . . . 0.0 110.008 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 p -118.01 158.31 25.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.269 0.556 . . . . 0.0 110.002 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.08 135.54 43.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.516 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.0 p -139.83 133.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.619 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 42.88 26.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.46 28.67 38.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.8 mtt180 -131.04 149.38 52.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.7 m -86.15 123.08 31.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.38 135.75 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -66.31 145.07 56.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.79 143.32 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.566 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.5 m -70.41 -44.68 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -138.78 80.8 24.27 Favored Pre-proline 0 N--CA 1.463 0.224 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.182 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.84 139.7 14.05 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.588 2.192 . . . . 0.0 112.434 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.1 110.57 11.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.328 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.18 164.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 60.8 mt -107.79 141.84 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -78.53 167.46 21.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.484 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -71.87 -42.47 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.02 -13.49 47.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.014 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.436 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 2.0 mm100 -48.05 -61.98 2.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.151 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 33.0 Cg_endo -62.52 115.77 3.1 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.376 2.051 . . . . 0.0 111.826 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -154.33 -70.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.29 -74.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.438 ' O ' ' CG ' ' A' ' 88' ' ' HIS . 18.1 p-80 -174.25 73.42 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -84.71 134.77 34.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 p -141.45 164.35 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.224 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 91' ' ' ILE . 94.8 mt -127.66 133.0 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -78.84 130.25 35.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.51 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.9 t -108.68 133.84 52.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.941 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -95.19 -13.17 25.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.89 -26.7 36.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.39 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -109.43 -29.67 8.32 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 75.09 31.86 0.81 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.423 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -143.39 159.51 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -77.76 134.81 37.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.449 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 8.7 tptp -132.66 141.77 48.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.56 160.63 23.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.6 tt -73.11 -33.54 42.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.87 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 105' ' ' PHE . 10.3 m120 -58.84 -41.47 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.471 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 97.5 mt-10 -79.59 16.97 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -124.3 144.24 50.1 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.577 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.1 t -88.47 165.59 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.334 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.02 -45.59 77.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.23 90.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.542 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -59.48 -26.69 65.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.33 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -82.75 -30.08 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -66.25 -44.17 84.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.52 160.06 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 113' ' ' LEU . 9.4 mp -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.16 79.33 74.58 Favored Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.16 134.84 66.04 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.722 2.281 . . . . 0.0 112.431 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.466 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 45.3 mtt-85 -132.95 136.92 46.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.518 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.668 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -68.0 151.44 47.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -54.29 -9.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.554 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.44 -49.04 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.406 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.668 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -64.51 -28.74 69.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.809 -178.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.78 -30.61 12.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 82.5 t60 -72.42 -4.12 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.419 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.8 t -83.76 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' ARG . 26.0 mt-30 -141.03 39.39 1.78 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 124' ' ' GLN . 16.6 ptm180 36.71 -155.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.74 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.382 179.201 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mmm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.93 126.53 7.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -84.19 -77.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.634 0.254 . . . . 0.0 110.604 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -130.69 -139.86 0.22 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.31 5.3 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -63.73 -13.84 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -79.6 0.13 31.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 139.32 55.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -116.57 125.45 51.88 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.05 130.09 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -86.87 144.92 26.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' C ' ' H ' ' A' ' 44' ' ' ARG . 36.3 t -80.45 121.31 25.57 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.928 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.0 ptm -62.83 0.67 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.762 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 26.4 ttp180 -118.21 -72.47 0.69 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.06 -18.74 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.255 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 56.97 34.16 24.46 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -104.81 132.21 51.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.329 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.44 123.51 43.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -144.52 163.93 32.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.439 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -88.12 179.3 46.79 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.42 -4.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 50' ' ' GLY . 21.1 p-10 -74.47 -47.02 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.83 5.46 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.608 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -124.61 135.52 53.17 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.3 p -66.92 156.88 34.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.391 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -62.71 -41.56 99.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.3 m -62.72 -48.3 79.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.43 -42.19 88.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 62' ' ' THR . 80.2 t90 -68.01 -36.14 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 62' ' ' THR . 38.1 m -62.48 -31.44 72.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.97 -3.33 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 64.3 p -74.06 -17.72 60.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.767 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.52 154.34 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -129.44 170.17 14.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.385 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.92 121.64 44.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.458 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' ARG . 53.1 t -129.83 134.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.562 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 46.79 27.9 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.6 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.9 26.72 64.02 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 66' ' ' VAL . 78.9 ttt-85 -132.49 133.47 43.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 127.81 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.09 133.47 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.394 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.76 137.05 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.449 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.8 t -65.88 -42.06 90.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.06 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -139.71 82.33 18.23 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -81.42 117.83 3.15 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.645 2.23 . . . . 0.0 111.712 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -104.88 113.85 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.974 0.416 . . . . 0.0 110.389 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.2 m -150.15 158.27 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.392 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.44 140.96 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.372 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.3 p -54.52 168.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.38 -36.06 82.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.496 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 10.3 p -61.43 -22.4 64.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.545 ' SG ' ' CZ ' ' A' ' 44' ' ' ARG . 1.3 m -81.33 -1.58 45.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 12.4 mt-30 -37.41 -61.01 0.77 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.521 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 30.2 Cg_endo -62.53 97.49 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.51 2.14 . . . . 0.0 111.572 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' H ' ' CE1' ' A' ' 88' ' ' HIS . 20.6 tptp -139.09 113.04 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 38.42 79.67 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.5 ' C ' ' H ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -91.61 178.29 5.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.118 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.0 t0 63.96 -1.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 88' ' ' HIS . 14.7 t -130.94 143.84 51.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.471 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.34 133.45 66.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.234 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -82.34 113.91 20.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.145 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.67 132.62 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -90.23 -18.41 25.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.3 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.96 -27.0 15.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.49 30.76 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -141.84 160.81 39.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.459 ' CG2' ' HG ' ' A' ' 90' ' ' SER . 18.9 m -75.89 133.73 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -136.24 141.93 43.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.656 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.67 28.61 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.76 -23.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 14.9 p30 -57.49 -42.38 82.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 89.1 mt-10 -86.19 28.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.49 143.9 50.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.175 0.512 . . . . 0.0 110.575 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.3 m -81.65 174.44 11.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.433 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.64 -36.38 82.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 112' ' ' VAL . . . -84.32 -46.69 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 35.8 mt-30 -48.82 -29.42 4.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.609 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -93.36 -10.89 33.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.509 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 72.6 t60 -125.38 18.28 8.23 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 108' ' ' ALA . 14.9 p -97.5 162.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.9 -39.14 93.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.45 ' H ' HG21 ' A' ' 112' ' ' VAL . 25.0 m-20 -123.57 80.75 54.44 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.193 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.75 130.35 36.76 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.123 2.549 . . . . 0.0 112.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 7.7 mtp180 -144.09 117.92 9.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.325 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -42.74 156.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.684 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.52 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 87.1 mt-30 -62.49 -9.99 10.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.664 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.29 -27.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.637 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -83.67 -26.85 29.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.328 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 m -79.54 -26.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 15.1 m-70 -86.88 2.94 47.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.9 m -96.27 -38.22 10.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.592 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 126' ' ' ASN . 36.8 tt0 -142.52 39.35 1.54 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 110.361 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.53 ' O ' ' ND2' ' A' ' 126' ' ' ASN . 85.0 mtt85 52.99 -91.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 125' ' ' ARG . 16.4 m120 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 34' ' ' ASN . . . 71.59 -117.04 6.39 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 71.36 -43.49 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -95.73 104.76 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.35 -35.42 80.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.06 -41.72 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.505 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -98.47 34.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.17 179.76 7.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.8 mt -137.43 95.76 3.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.996 0.427 . . . . 0.0 110.732 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 40' ' ' ILE . 51.1 mm -87.03 138.49 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.1 ttt -77.03 140.61 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.21 138.66 33.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -79.69 -3.02 45.5 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.36 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ARG . 58.1 mtp180 -115.6 -88.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 19.7 p -66.32 6.63 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' ARG . 86.5 mtm-85 36.74 46.86 0.5 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.017 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 25.9 ttmt -115.17 123.69 49.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.439 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.97 131.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.261 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' NZ ' ' CD ' ' A' ' 47' ' ' LYS . 33.5 mttp -146.01 154.03 41.42 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -108.83 -177.12 21.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -52.93 -6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 50' ' ' GLY . 50.1 t0 -72.94 -56.29 5.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.93 0.395 . . . . 0.0 110.666 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -91.23 16.96 8.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.335 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.25 139.1 50.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 p -66.45 155.66 36.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.326 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.51 -39.35 94.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -63.49 -47.66 80.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.56 -39.45 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.47 ' O ' ' OG1' ' A' ' 62' ' ' THR . 5.3 t-105 -62.2 -39.99 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' PHE . 37.7 m -59.38 -29.8 67.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.648 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -70.52 -12.15 61.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 38.8 p -75.55 -19.07 59.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 32.3 p90 -148.56 156.68 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 110.243 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -130.4 168.92 16.19 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.97 123.95 47.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -134.43 136.68 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 51.23 22.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.2 25.06 64.66 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.57 133.76 38.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.509 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -60.9 128.84 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.205 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.81 153.0 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 t -86.34 137.52 32.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.684 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.83 154.08 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.5 m -61.41 -41.83 97.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.13 79.53 7.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.411 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -77.28 118.21 4.6 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.695 2.263 . . . . 0.0 111.906 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -125.02 125.79 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.16 148.1 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.7 tt -94.27 127.41 46.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.6 p -64.7 161.6 17.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -67.17 -39.61 86.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.541 ' C ' ' H ' ' A' ' 84' ' ' GLN . 16.9 m -53.31 -40.09 64.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -70.33 16.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.541 ' H ' ' C ' ' A' ' 82' ' ' THR . 34.1 mt-30 -142.14 62.59 14.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.418 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.31 -78.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.661 2.241 . . . . 0.0 112.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -141.31 114.58 8.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -78.83 -15.34 58.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.439 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.27 129.51 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -135.12 129.35 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.4 p -138.39 162.54 34.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 mm -118.46 131.91 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.56 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TRP . 11.8 t90 -80.53 111.07 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -87.92 130.49 34.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.482 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -93.26 -9.12 40.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.17 -36.47 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.47 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 68.6 m -98.52 -26.8 14.31 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 71.25 35.16 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.355 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -146.23 161.31 40.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 79.1 m -79.59 138.78 37.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -142.41 146.92 35.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.75 165.91 36.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 pt -80.42 -16.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.824 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.18 -42.11 99.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.607 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -84.78 22.22 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.31 136.76 53.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.073 0.463 . . . . 0.0 110.685 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -75.64 167.2 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.364 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -63.27 -40.65 98.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.94 -41.65 82.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -57.11 -37.17 71.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.624 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -81.14 -11.04 59.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -96.63 -45.91 6.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.767 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.2 m -52.2 173.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 10.3 mp -88.97 -11.58 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 12.4 p30 -133.75 77.99 62.21 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.313 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.75 147.42 92.26 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.894 2.396 . . . . 0.0 112.059 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -154.25 126.66 7.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.7 OUTLIER -47.35 147.95 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.44 -8.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.188 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -89.38 -28.18 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.034 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -82.01 -33.15 30.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.68 -37.22 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.45 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -88.54 10.21 21.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.2 p -126.56 -8.52 6.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.492 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 126' ' ' ASN . 3.1 tp-100 -142.44 18.15 2.04 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 126' ' ' ASN . 84.7 mtp180 42.41 -91.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 124' ' ' GLN . 89.2 m-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.527 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.486 ' H ' ' CD ' ' A' ' 33' ' ' LYS . 96.8 mmm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.22 -8.52 79.29 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' CD ' ' H ' ' A' ' 31' ' ' MET . 1.2 mptm? -62.3 -40.91 97.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.807 -0.231 . . . . 0.0 110.623 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -110.87 130.19 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.967 0.413 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 30.1 p-10 -78.26 -7.41 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -90.04 -2.28 58.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.615 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -90.75 12.09 20.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.38 176.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.42 117.56 14.43 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.5 mt -101.68 142.09 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.76 130.0 38.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 t -84.0 156.16 22.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.291 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -107.2 -9.14 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.366 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -101.47 -58.62 1.85 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 17.0 p -102.82 -3.91 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.764 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 56.1 31.98 19.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.494 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 17.7 ttmm -87.07 133.35 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.15 127.7 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -167.67 178.03 5.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.682 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.597 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.58 -167.51 35.19 Favored Glycine 0 CA--C 1.517 0.199 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -50.79 -4.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.826 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' ' 50' ' ' GLY . 68.3 t0 -71.06 -53.69 13.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.11 6.74 43.75 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.76 139.9 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 p -67.82 160.12 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.49 -40.85 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.558 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -65.96 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -48.17 -42.83 30.7 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.39 0.614 . . . . 0.0 110.57 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -61.24 -38.42 86.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.408 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.9 m -79.02 -11.31 60.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.988 0.423 . . . . 0.0 111.074 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' PHE . 78.7 mttt -78.49 -26.54 45.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.6 p -75.41 10.89 1.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.049 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.3 m-85 -129.15 149.99 50.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -134.89 158.46 44.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.252 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.09 122.5 44.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.486 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' ARG . 55.3 t -130.53 131.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 46.79 32.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.376 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.89 70.85 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' VAL . 79.5 ttt-85 -130.7 138.35 49.97 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.396 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.5 m -73.61 126.34 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.39 134.66 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m -70.08 149.23 47.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.6 128.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.1 p -66.87 -33.27 75.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -126.08 75.05 72.26 Favored Pre-proline 0 N--CA 1.466 0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -80.06 111.15 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.644 2.229 . . . . 0.0 111.57 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -102.52 87.36 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.24 160.96 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.284 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 pt -117.32 167.72 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.769 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -78.04 166.65 22.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.874 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.11 -37.35 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -76.48 -27.23 56.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.777 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.21 -27.29 67.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.328 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -100.51 147.5 33.68 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.372 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 143.67 68.93 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.632 2.221 . . . . 0.0 112.178 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 88' ' ' HIS . 97.1 mttt -146.12 158.42 43.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.24 11.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.533 ' H ' ' C ' ' A' ' 86' ' ' LYS . 95.2 m-70 54.73 77.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -94.2 0.86 56.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.411 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.6 m -134.93 148.51 50.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.4 HD13 HH11 ' A' ' 110' ' ' ARG . 96.1 mt -124.62 133.02 70.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -77.57 114.26 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.8 t -90.35 133.51 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.71 -10.27 34.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.656 0.265 . . . . 0.0 110.313 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.07 -26.57 22.47 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.612 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 90.5 m -100.42 -38.12 8.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.757 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 30.3 tt0 82.08 31.07 0.11 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.459 0.475 . . . . 0.0 110.283 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -151.45 167.66 27.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 m -76.01 137.27 40.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -135.64 140.58 44.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.65 164.97 25.16 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 tt -78.24 -24.03 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 110.809 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.14 -42.1 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.713 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' C ' HE22 ' A' ' 118' ' ' GLN . 72.7 mm-40 -81.94 22.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.717 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.636 ' CA ' HE22 ' A' ' 118' ' ' GLN . 2.0 m-85 -130.84 142.79 50.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.908 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -93.29 179.25 5.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' N ' ' OG ' ' A' ' 106' ' ' SER . 63.9 mttp -74.58 -39.48 62.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.136 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.05 86.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 9.7 mp0 -59.9 -37.91 80.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.303 0.573 . . . . 0.0 110.462 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.4 HH11 HD13 ' A' ' 91' ' ' ILE . 77.8 mtp85 -71.21 -38.69 72.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.87 -43.88 90.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.88 150.78 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.5 -12.94 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.48 81.72 67.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.2 144.52 95.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.808 2.339 . . . . 0.0 111.786 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -146.54 125.71 12.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' CYS . 3.5 m -41.73 145.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.605 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.636 HE22 ' CA ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -48.15 -29.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -80.35 -22.71 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' CYS . 99.4 m -80.98 -42.59 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.35 -34.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 7.6 m-70 -82.71 13.97 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.255 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.2 t -98.06 -55.72 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -132.72 32.21 3.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.5 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 55.51 176.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.351 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.523 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.6 ttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.78 149.04 4.9 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -65.35 -36.36 83.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.599 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -95.95 122.88 39.24 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -84.3 7.9 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 38' ' ' ALA . 46.2 t-20 -62.68 -40.18 96.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.387 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 66.3 t0 -70.65 38.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.544 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -106.62 126.29 52.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.355 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -113.83 137.13 52.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.146 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.04 132.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.5 ttp -83.75 136.0 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.77 143.93 52.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.07 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ptp -80.76 -5.98 57.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -120.13 -48.41 2.33 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.907 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 m -84.28 -20.62 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.699 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 58.24 24.42 11.44 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -105.12 136.31 44.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.687 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.8 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.18 144.93 35.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.19 172.87 28.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -43.72 -24.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.312 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 53' ' ' SER . 35.5 p-10 -73.99 -43.78 56.87 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.958 0.408 . . . . 0.0 111.026 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.2 m -93.73 8.54 40.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 131.71 53.5 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -57.08 144.48 34.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.069 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.0 -40.19 94.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.651 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 58' ' ' GLN . 25.2 p -58.77 -51.32 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 57' ' ' THR . 16.4 mp0 -67.29 -41.07 86.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.267 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' A' ' 62' ' ' THR . 32.3 t90 -58.29 -38.31 76.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.5 t -63.11 -22.19 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -84.45 -21.15 30.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 0.0 110.595 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 57.9 p -66.95 -1.92 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.631 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -160.81 166.53 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 71' ' ' VAL . 1.1 p -134.1 169.55 16.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.18 130.65 55.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.427 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 5.7 p -140.92 137.88 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 43.52 21.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 82.48 29.93 34.82 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 88.9 mtm180 -134.84 132.57 38.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.639 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -68.51 132.57 47.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.471 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG2' ' OG1' ' A' ' 64' ' ' THR . 6.8 m -132.79 133.91 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.965 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m -77.28 141.28 40.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.5 t -70.08 156.02 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.416 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.7 t -67.52 -43.99 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.842 0.354 . . . . 0.0 111.01 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -148.31 80.34 8.55 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.307 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 117.58 4.17 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.436 2.09 . . . . 0.0 112.01 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -107.13 107.16 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.072 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.2 158.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.18 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.79 153.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.532 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.4 p -82.36 -175.1 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.644 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -74.44 -34.49 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 10.3 p -56.6 -49.43 74.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 p -85.4 2.28 45.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -129.52 57.12 28.26 Favored Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.66 -21.54 39.01 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.625 2.217 . . . . 0.0 111.889 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -64.29 95.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -81.6 130.32 35.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.664 ' CD2' HH21 ' A' ' 110' ' ' ARG . 50.9 t-80 43.02 -115.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.541 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.586 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 44.9 t0 -172.71 176.11 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.42 ' H ' ' CG ' ' A' ' 89' ' ' ASP . 12.0 p -58.35 173.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -130.03 134.16 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.338 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -87.83 127.25 35.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.62 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.11 133.63 37.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -91.49 -9.65 43.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.41 25.03 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.557 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.3 m -115.39 -20.08 10.44 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.56 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 60.46 29.07 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -134.79 152.65 51.93 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -81.53 130.89 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.517 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -127.13 139.69 52.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.03 165.55 5.46 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.52 -35.78 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.943 0.402 . . . . 0.0 110.79 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 105' ' ' PHE . 84.4 m-20 -60.34 -39.24 86.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.565 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.46 9.04 1.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.5 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.3 m-85 -129.09 148.85 51.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.683 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.3 t -88.6 171.2 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.338 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.76 -44.86 63.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.117 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 81.5 mt-30 -56.95 -26.14 59.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.664 HH21 ' CD2' ' A' ' 88' ' ' HIS . 78.8 ttt-85 -87.02 -15.88 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 0.0 110.331 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -90.27 17.87 6.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 109' ' ' GLN . 14.8 m -126.2 159.43 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 110.101 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 113' ' ' LEU . 4.0 mm? -64.0 -39.21 93.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -120.35 85.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.78 141.92 92.2 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.492 2.128 . . . . 0.0 111.798 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -130.58 119.55 22.68 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.5 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 31.9 p -46.37 144.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.48 -11.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.825 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.445 ' H ' ' C ' ' A' ' 117' ' ' CYS . 39.1 mm -88.42 -39.41 12.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.488 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.17 -33.64 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 123' ' ' SER . 6.5 m -74.46 -40.25 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.715 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 14.9 t-80 -62.6 1.52 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 121' ' ' VAL . 37.5 m -126.27 -57.54 1.39 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 125' ' ' ARG . 99.5 mm-40 -97.05 30.07 2.88 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.732 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 124' ' ' GLN . 8.1 ptp180 30.98 -105.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.605 0.566 . . . . 0.0 111.015 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.072 179.151 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.32 105.66 1.89 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 35' ' ' ASP . 98.8 mttt -63.03 -33.74 76.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.825 0.345 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -68.66 40.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.127 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 33' ' ' LYS . 99.4 m-20 -76.32 -5.84 48.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 45.7 p30 -65.85 -24.72 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 36' ' ' ASN . 45.8 t0 -77.2 23.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.267 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -72.49 173.57 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.706 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mp -139.53 110.76 6.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.118 0.485 . . . . 0.0 110.032 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 40' ' ' ILE . 1.5 mp -100.98 146.5 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.61 135.75 35.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.89 139.4 39.24 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.103 0.477 . . . . 0.0 110.157 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.2 ptm -77.67 -5.67 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.033 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -118.06 -85.37 0.65 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.154 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.7 p -66.28 -4.56 8.09 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.603 0.239 . . . . 0.0 111.518 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 48.06 36.5 6.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.46 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -91.72 127.22 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.061 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.22 114.15 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -149.08 170.78 17.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.384 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -106.13 -166.52 23.07 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -48.97 -7.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -71.09 -49.51 43.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.482 . . . . 0.0 110.011 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.5 m -87.64 4.61 43.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.872 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.87 142.02 51.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.039 0.447 . . . . 0.0 111.133 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.1 t -69.46 160.64 31.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.502 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.12 -41.27 98.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.901 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' OG ' ' A' ' 60' ' ' SER . 13.6 m -62.85 -46.14 89.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.71 -48.47 74.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.013 0.435 . . . . 0.0 111.379 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.441 ' O ' ' OG1' ' A' ' 62' ' ' THR . 6.8 t-105 -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.25 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 57' ' ' THR . 53.3 p -66.67 -20.3 65.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.89 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -78.49 -20.05 51.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.369 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.519 ' OG1' ' CE2' ' A' ' 63' ' ' PHE . 72.5 p -71.65 -7.62 49.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CE2' ' OG1' ' A' ' 62' ' ' THR . 42.9 m-85 -124.78 146.13 49.38 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.971 0.415 . . . . 0.0 110.247 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 p -123.46 155.85 36.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.867 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 122.07 44.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.196 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -128.9 131.11 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.063 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 50.81 26.03 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.99 15.61 78.63 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -117.61 143.91 45.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.794 0.331 . . . . 0.0 110.355 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -77.89 123.62 26.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.214 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.02 134.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.2 p -69.64 147.23 50.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.3 t -70.45 141.89 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.384 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.9 p -66.76 -41.95 86.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.019 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.07 79.07 7.03 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 140.87 14.95 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.127 1.885 . . . . 0.0 112.535 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -120.73 109.86 15.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.16 148.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.12 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 79' ' ' ILE . 89.3 mt -87.9 153.3 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -93.13 155.01 17.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -61.04 -29.77 69.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.085 0.469 . . . . 0.0 110.564 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 m -65.2 -38.02 89.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.389 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.4 -73.12 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.476 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 38.41 73.17 0.8 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.771 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.5 -29.46 16.44 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.043 1.829 . . . . 0.0 112.37 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -171.39 -78.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.672 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 50.47 -126.35 2.28 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.3 t60 41.24 81.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -159.33 159.55 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.8 m -57.46 172.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.02 138.04 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -85.28 138.02 32.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.737 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 14.8 t -110.42 137.88 47.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -96.41 -12.41 24.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -84.38 -21.69 30.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.8 m -121.23 -10.98 8.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.57 35.55 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.207 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -141.47 155.87 45.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.737 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -86.36 140.68 29.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -135.97 147.49 48.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.456 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.97 165.25 26.34 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 tt -69.38 -32.72 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.37 -41.31 96.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.47 5.27 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -121.9 141.45 51.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.726 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 107' ' ' LYS . 47.5 t -87.23 163.7 16.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.621 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' N ' ' HG ' ' A' ' 106' ' ' SER . 98.4 mttt -72.07 -37.49 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.62 88.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -75.88 -16.64 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.147 0.499 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.07 -20.55 44.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -85.86 -43.48 13.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.5 m -54.31 167.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.408 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 113' ' ' LEU . 7.4 mp -81.64 -15.63 53.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -131.22 79.18 71.08 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.4 140.71 95.58 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.451 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 91.3 mtt180 -129.13 141.13 51.28 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.89 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -66.06 145.19 56.14 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.827 0.346 . . . . 0.0 110.308 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -50.65 -10.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.516 ' H ' ' C ' ' A' ' 117' ' ' CYS . 81.5 mt -87.89 -49.44 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.7 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -64.02 -31.95 73.32 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.148 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 10.5 m -68.74 -41.4 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.604 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 121' ' ' VAL . 49.8 t-80 -47.46 -52.59 16.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.157 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 125' ' ' ARG . 60.3 p -83.62 -50.47 8.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 110.621 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 125' ' ' ARG . 39.1 tt0 -80.86 36.51 0.4 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.391 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 124' ' ' GLN . 11.8 ptm180 30.87 -105.16 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.4 ' H ' ' HG3' ' A' ' 125' ' ' ARG . 71.5 m-80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.501 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.44 61.39 3.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -62.0 -45.34 94.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -169.34 111.97 0.5 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -93.14 2.75 56.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.523 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -89.91 0.82 56.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 52.8 t0 -93.38 13.6 21.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.03 0.443 . . . . 0.0 110.453 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.92 138.27 49.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.55 127.31 52.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -91.11 137.21 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.1 ttt -85.59 123.15 30.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.421 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.1 t -86.1 147.69 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptm -97.7 -8.02 29.6 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.92 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -87.55 -58.81 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.058 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -104.0 14.75 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.582 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 41.27 30.31 0.12 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.917 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -107.2 155.55 19.79 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.52 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.255 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -134.49 140.63 46.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.57 170.66 38.84 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 tt -45.71 -26.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -72.84 -40.22 65.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p -96.83 10.39 39.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.309 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.48 141.05 49.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.964 0.411 . . . . 0.0 110.701 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.0 t -60.84 148.97 37.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.119 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.14 -43.15 99.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.5 m -62.51 -49.49 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -60.31 -46.82 88.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -61.76 -38.32 87.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -72.67 -26.53 61.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.21 -12.66 61.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 p -87.75 5.68 38.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.948 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.76 147.44 48.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 110.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 p -132.85 160.28 37.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.21 117.16 32.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.066 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.55 147.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.529 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 53.37 18.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.723 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.14 24.01 69.95 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -66.19 127.78 33.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.21 136.77 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.5 m -72.6 145.95 46.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.6 t -71.23 154.35 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.401 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 p -92.36 -34.27 14.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.709 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -128.08 70.67 78.57 Favored Pre-proline 0 N--CA 1.466 0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.165 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.67 89.52 1.11 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.743 2.295 . . . . 0.0 112.177 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 91.56 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.65 162.8 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.956 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 80' ' ' CYS . 87.2 mt -115.38 159.74 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.927 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 3.3 m -78.24 169.47 18.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -70.26 -35.58 73.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.402 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 p -82.95 -25.81 32.0 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.772 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.28 -20.06 59.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.285 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 2.6 mt-30 -54.99 -62.61 3.97 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.317 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 84' ' ' GLN . 29.6 Cg_endo -61.41 158.73 34.58 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.564 2.176 . . . . 0.0 111.905 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.11 135.83 57.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.134 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.556 ' CD ' ' H ' ' A' ' 87' ' ' GLN . 2.6 pm0 -42.86 165.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -65.93 168.67 7.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.576 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -82.05 8.86 9.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.4 p -57.5 176.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.7 mt -132.92 136.03 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -84.58 135.24 34.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -99.08 124.69 44.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 p -95.07 -10.43 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.7 -45.89 49.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.552 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.87 -6.3 14.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.96 38.96 3.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -129.16 141.06 51.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.0 m -81.22 133.39 35.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -135.89 146.29 47.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.68 167.25 54.48 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.5 pt -72.34 -16.35 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 0.0 110.591 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.11 -42.38 84.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 44.4 mp0 -94.11 14.99 18.25 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.526 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.442 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -119.88 130.44 54.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.435 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.464 ' OG ' ' OE1' ' A' ' 109' ' ' GLN . 5.5 p -58.79 147.86 31.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.058 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -64.99 -41.14 95.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.96 73.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.545 ' C ' ' H ' ' A' ' 111' ' ' HIS . 2.1 mp0 -63.34 -45.22 92.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -56.7 -3.08 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.545 ' H ' ' C ' ' A' ' 109' ' ' GLN . 75.5 m80 -114.92 21.23 14.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.411 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.21 158.73 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 10.3 mp -64.7 -40.8 95.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.02 94.79 48.72 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.03 0.206 . . . . 0.0 110.507 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -77.57 130.7 10.94 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.432 2.088 . . . . 0.0 111.846 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.442 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 85.1 mtt85 -108.59 128.26 54.67 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.381 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.421 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.6 p -60.06 150.73 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -50.09 -14.99 0.18 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 117' ' ' CYS . 77.9 mt -88.34 -40.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.83 -36.16 79.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.1 m -68.92 -36.55 74.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.481 ' O ' ' CG ' ' A' ' 122' ' ' HIS . 84.6 t60 -81.16 -2.71 49.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.8 p -116.64 -11.6 11.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 125' ' ' ARG . 15.9 mm100 -139.56 39.08 2.04 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.722 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 124' ' ' GLN . 8.2 ptp180 30.9 -104.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.692 0.62 . . . . 0.0 110.77 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.44 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.31 99.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -89.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.712 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -95.67 100.71 12.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 56.0 t0 -68.67 -16.14 63.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 38' ' ' ALA . 8.1 m120 -62.05 -33.06 73.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.268 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.45 0.75 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -69.72 141.38 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.442 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.01 125.07 52.52 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' ' CE1' ' A' ' 54' ' ' TYR . 31.6 mm -111.65 128.04 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 110.251 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -104.57 138.35 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.999 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -90.34 152.22 21.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 111.872 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -82.16 2.12 33.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.423 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -107.2 -93.14 0.4 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 110.664 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -7.75 44.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 59.28 38.82 23.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.331 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.521 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 21.3 mttm -78.8 126.85 31.26 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.64 123.7 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.681 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -168.37 177.2 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -81.46 -171.68 45.71 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.39 -3.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.193 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 50' ' ' GLY . 66.2 t0 -73.98 -54.51 7.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -78.71 3.38 16.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 40' ' ' ILE . 6.8 m-85 -126.65 137.6 53.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.094 0.473 . . . . 0.0 110.555 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.2 p -70.56 154.7 41.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.379 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 60' ' ' SER . 21.0 m -62.75 -48.4 79.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -70.02 -40.91 74.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.446 ' O ' ' OG1' ' A' ' 62' ' ' THR . 83.8 t90 -64.21 -36.37 83.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.699 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' THR . 91.1 p -61.79 -22.4 65.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.3 -5.25 46.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 47.6 p -67.48 -10.33 50.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -145.95 155.46 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.435 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.4 p -125.78 175.61 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.982 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.513 ' CE1' ' OG1' ' A' ' 70' ' ' THR . 0.2 OUTLIER -120.99 144.06 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.155 -179.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.2 t -132.16 124.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.871 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.569 HH21 ' NH1' ' A' ' 69' ' ' ARG . 49.7 ptt85 34.18 36.14 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.05 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.79 32.26 13.44 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' NH1' HH21 ' A' ' 67' ' ' ARG . 62.4 ttp180 -134.7 121.24 20.51 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.944 0.402 . . . . 0.0 110.719 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.513 ' OG1' ' CE1' ' A' ' 65' ' ' PHE . 25.5 m -72.83 128.69 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.44 141.15 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.9 m -78.34 141.22 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.55 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.0 t -73.83 134.98 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 m -65.42 -40.16 93.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.935 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.25 84.1 8.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.512 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.35 118.66 4.34 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.297 1.998 . . . . 0.0 111.998 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.21 103.11 14.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.61 164.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -119.98 128.21 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.555 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 14.3 p -56.41 161.95 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.261 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 38.6 ptt180 -69.94 -22.71 63.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.555 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 12.8 p -80.33 -22.16 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.544 ' N ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -64.7 -55.42 20.11 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 81' ' ' ARG . 43.4 mt-30 36.35 82.15 0.23 Allowed Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.344 0.402 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.95 -37.78 67.83 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.493 2.129 . . . . 0.0 111.862 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -63.37 129.12 38.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.534 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.5 ' NE2' ' OD1' ' A' ' 103' ' ' ASN . 10.5 tp-100 -172.01 109.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.477 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.56 -41.78 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -84.76 114.52 22.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.129 0.49 . . . . 0.0 110.39 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.535 ' HG ' ' N ' ' A' ' 91' ' ' ILE . 45.8 t -136.66 155.92 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.471 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.535 ' N ' ' HG ' ' A' ' 90' ' ' SER . 89.2 mt -129.59 134.55 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -84.65 128.25 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.4 t -103.72 137.4 41.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.779 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p -98.76 -10.44 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.13 22.7 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -100.41 -31.79 11.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 79.22 26.77 0.42 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.11 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -140.82 156.56 46.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.2 m -85.28 138.88 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -135.59 146.84 48.36 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.312 0.577 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.33 169.04 50.18 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.024 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.05 -23.99 25.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.726 0.298 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.5 ' OD1' ' NE2' ' A' ' 87' ' ' GLN . 13.2 m120 -63.2 -42.77 99.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.144 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 80.0 mm-40 -88.83 13.91 11.51 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.44 139.11 54.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.495 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.6 m -77.49 161.9 27.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.408 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 107' ' ' LYS . 1.2 mptm? -70.06 -43.87 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -58.4 -26.03 62.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.21 0.528 . . . . 0.0 110.076 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -73.18 -37.24 66.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -60.57 -44.03 96.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.457 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.17 146.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.308 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 113' ' ' LEU . 9.6 mp -66.16 -23.23 66.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.479 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -125.38 82.4 62.77 Favored Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.3 142.21 94.77 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.554 2.169 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -128.79 120.98 27.35 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.639 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -54.31 152.65 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.022 0.439 . . . . 0.0 110.747 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.495 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.6 mp0 -54.89 -10.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.01 -48.15 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.8 OUTLIER -66.78 -30.55 70.79 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.046 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.486 ' C ' ' H ' ' A' ' 123' ' ' SER . 10.4 m -74.5 -35.69 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.749 0.309 . . . . 0.0 110.566 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -63.66 0.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.568 ' HG ' ' H ' ' A' ' 124' ' ' GLN . 44.2 p -89.88 -50.22 6.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.659 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.568 ' H ' ' HG ' ' A' ' 123' ' ' SER . 11.2 tt0 -140.51 39.95 1.88 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.951 0.405 . . . . 0.0 110.338 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 52.04 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 124' ' ' GLN . 62.3 t30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.94 100.68 2.71 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.46 145.96 27.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 110.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -156.95 170.98 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.535 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.3 -39.49 93.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.613 ' C ' ' H ' ' A' ' 38' ' ' ALA . 78.1 m-20 -62.88 -37.11 85.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.6 t0 -67.42 17.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.613 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -49.27 -179.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.202 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.2 mt -139.53 109.44 6.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 0.0 110.229 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.52 150.08 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ttt -88.91 135.28 33.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.421 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.36 147.87 37.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.5 ptm -94.69 -6.64 42.77 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -107.81 -63.15 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.75 0.31 . . . . 0.0 111.599 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 19.4 p -95.49 -3.44 46.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 55.23 29.63 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.747 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 tttm -91.72 121.2 33.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.67 133.19 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.334 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -168.08 172.54 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.926 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -103.85 -168.21 25.25 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 tt -50.42 -8.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.599 0.238 . . . . 0.0 111.459 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 50' ' ' GLY . 63.5 t0 -69.89 -46.88 64.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.751 0.31 . . . . 0.0 110.458 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.71 4.08 52.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.799 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.4 133.56 54.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 156.75 23.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.896 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -60.4 -40.46 91.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -62.37 -48.82 78.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 87.7 mt-30 -61.19 -44.57 97.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.73 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 1.8 t-105 -60.42 -38.44 84.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.139 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 m -66.06 -20.57 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -79.3 -24.94 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.572 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 73.0 p -68.55 -7.22 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.62 177.91 4.53 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.648 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.02 150.77 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.8 135.26 49.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.07 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 69' ' ' ARG . 47.0 t -132.39 112.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.041 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 40.62 42.86 1.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.09 68.49 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.0 tpt180 -118.83 123.45 44.78 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.231 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -73.02 125.01 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.328 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.64 139.9 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.3 t -79.1 147.62 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.29 134.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.368 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -63.17 -44.45 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.25 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -147.5 79.78 9.43 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -80.2 149.32 19.56 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.494 2.129 . . . . 0.0 112.219 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -120.09 105.2 10.78 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.205 0.526 . . . . 0.0 110.465 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.98 159.68 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.36 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.531 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 11.9 pt -109.54 160.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.515 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.8 p -80.35 166.99 20.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -60.96 -39.74 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.515 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 60.4 p -63.48 -29.82 71.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.607 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.39 -17.5 59.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.524 ' OE1' ' NE2' ' A' ' 58' ' ' GLN . 1.1 pt20 -143.61 68.72 16.91 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.43 118.41 4.26 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.611 2.208 . . . . 0.0 112.101 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -86.56 -10.05 54.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.594 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -142.9 156.38 44.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 89' ' ' ASP . 57.0 t-80 -155.47 156.79 35.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.414 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.447 ' O ' ' ND1' ' A' ' 88' ' ' HIS . 98.4 m-20 -84.17 -175.97 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 m -56.95 173.29 0.22 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -125.93 132.32 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.228 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.73 123.3 30.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.521 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.05 132.83 35.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -90.88 -12.66 35.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.38 -17.54 27.07 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.471 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.04 -11.25 8.92 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 55.08 36.31 26.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.709 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -141.64 157.09 45.52 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -83.39 137.9 33.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -136.9 146.47 45.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.165 0.507 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.31 167.08 44.15 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.4 pt -77.2 -20.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.734 0.302 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -65.21 -42.34 93.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 96.2 mt-10 -84.17 17.32 2.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.64 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.91 141.12 51.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.31 0.576 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 107' ' ' LYS . 8.0 t -73.98 163.27 28.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.419 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' H ' ' HG ' ' A' ' 106' ' ' SER . 20.1 pttp -67.29 -27.81 67.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.58 -36.22 22.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -36.07 80.57 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -79.49 -8.43 59.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.439 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -94.03 -44.97 7.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.436 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.3 m -52.99 177.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.88 -15.7 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -133.84 77.65 62.58 Favored Pre-proline 0 C--N 1.332 -0.195 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.37 141.25 94.8 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.785 2.323 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -135.71 132.63 37.15 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.644 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.6 OUTLIER -60.76 150.81 31.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.493 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 7.6 mp0 -55.46 -10.21 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.167 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.432 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -87.81 -43.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.644 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -70.9 -30.56 66.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.972 -179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.3 m -70.81 -38.09 71.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 35.2 m170 -85.71 -2.09 57.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.725 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 m -123.31 -61.29 1.42 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 120' ' ' CYS . 27.9 mm100 -87.41 19.55 3.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.482 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 58.39 178.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.502 -179.695 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.23 87.37 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.18 -38.91 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.726 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -85.27 5.88 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -64.78 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.53 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -80.09 12.48 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.62 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -86.01 14.62 5.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 147.6 53.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.6 mt -118.86 132.84 56.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.9 mp -107.51 140.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.3 ttt -95.92 122.09 38.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.427 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 t -70.56 137.18 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.229 0.538 . . . . 0.0 111.0 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -82.78 6.43 18.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -123.65 -91.46 0.55 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.365 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.7 p -64.85 -10.13 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.499 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 56.05 36.46 27.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.825 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.03 108.75 19.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.007 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -82.83 117.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -153.79 175.85 12.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.608 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -96.52 -168.69 34.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -52.29 -7.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 49.6 t0 -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -91.21 2.05 56.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 5.6 m-85 -127.22 137.58 52.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -75.46 164.55 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.407 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.22 -37.4 87.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.2 m -59.92 -51.33 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -75.85 -42.3 49.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.92 -40.75 89.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 m -81.37 -9.17 59.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 63' ' ' PHE . 10.9 ttmm -79.22 -33.67 43.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -68.99 10.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.5 m-85 -123.24 148.61 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.984 0.421 . . . . 0.0 110.271 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -128.96 159.21 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.251 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -109.01 115.47 30.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.11 148.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 54.45 18.96 2.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.22 24.35 66.27 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -134.19 162.52 31.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.396 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 m -86.96 126.74 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.19 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 m -134.48 152.53 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.568 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 p -78.55 159.5 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -90.1 132.13 35.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.264 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.9 t -62.13 -43.4 98.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -132.08 80.42 64.52 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.731 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.42 137.86 13.47 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.589 2.193 . . . . 0.0 111.955 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -120.89 95.27 4.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.167 0.508 . . . . 0.0 110.745 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.38 167.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 167.13 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.541 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -79.71 157.02 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 90.5 mtm180 -55.66 -42.36 74.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.101 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 m -59.83 -39.98 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.413 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.4 m -66.44 -24.52 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -147.11 77.14 11.02 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.41 147.09 25.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.539 2.159 . . . . 0.0 111.848 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -129.24 -66.53 0.81 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.469 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.86 59.5 1.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -149.39 -22.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -95.62 15.11 20.79 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.466 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -128.9 138.73 52.17 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.407 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 91' ' ' ILE . 80.4 mt -120.66 129.11 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.011 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -79.35 112.41 16.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 5.4 t -89.17 134.52 33.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.351 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.52 -7.97 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.235 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -90.34 -11.19 41.38 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 96.8 m -122.55 -34.96 3.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.423 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.4 tp60 80.72 35.83 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.494 0.496 . . . . 0.0 110.24 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.615 ' NE2' ' NZ ' ' A' ' 100' ' ' LYS . 18.0 pt20 -150.62 167.1 28.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.522 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 99' ' ' THR . 0.8 OUTLIER -82.52 141.21 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.615 ' NZ ' ' NE2' ' A' ' 98' ' ' GLN . 30.0 mmtm -136.91 144.96 43.75 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.977 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.32 168.3 54.81 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -80.67 -11.31 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.454 HD21 ' N ' ' A' ' 103' ' ' ASN . 1.5 m120 -64.9 -44.75 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.16 17.86 14.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.2 OUTLIER -123.13 136.78 54.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.018 0.437 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 m -67.59 149.28 50.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.408 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.42 -42.11 99.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.421 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.62 82.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.05 -17.95 59.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.587 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -84.53 -18.79 34.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -88.88 -40.41 13.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.293 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 m -55.61 152.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 0.0 110.599 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.18 -30.87 71.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.641 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -121.18 99.62 46.08 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.455 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.71 138.97 19.58 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.516 2.144 . . . . 0.0 112.074 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' A' ' 126' ' ' ASN . 99.8 mtt180 -130.93 126.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.445 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 66.9 m -43.1 142.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.524 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 3.3 tp-100 -45.47 -26.84 0.62 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 123' ' ' SER . 10.5 tp -89.4 -37.49 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.57 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.46 -40.64 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.229 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.9 -39.72 80.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -89.08 2.05 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.676 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' ILE . 66.1 m -74.57 -63.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -141.41 35.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 53.16 -166.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.568 HD21 ' NH1' ' A' ' 116' ' ' ARG . 13.2 m120 . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -165.98 168.26 39.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt 44.33 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 110.669 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' GLY . 12.3 m120 54.82 90.09 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.87 0.367 . . . . 0.0 110.531 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.96 -16.28 64.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -87.09 11.84 12.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 53.8 t0 -83.97 11.18 8.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.01 143.18 58.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.502 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.43 123.55 44.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 110.425 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.563 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.6 mp -94.62 140.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.7 ttt -87.62 122.69 31.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.578 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 43.9 t -85.12 110.0 18.66 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -63.03 -8.72 7.96 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.031 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -85.36 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.23 15.58 28.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.732 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.2 mtt-85 42.97 29.18 0.17 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -89.54 136.7 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.61 118.69 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -146.55 167.36 23.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.253 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.98 -176.53 42.39 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.213 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -49.63 -11.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.153 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 50' ' ' GLY . 64.4 t0 -66.84 -42.17 86.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.089 0.471 . . . . 0.0 110.551 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -100.23 7.15 44.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.921 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -125.48 136.7 53.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.173 0.511 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.3 t -69.05 150.6 47.45 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -58.95 -40.32 84.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.03 -49.85 74.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.13 -38.22 81.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -67.45 -38.95 85.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -61.6 -12.86 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.37 -9.88 57.02 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.6 p -66.77 -1.87 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -158.57 161.09 37.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.4 p -133.71 170.19 15.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.143 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 122.77 47.31 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ARG . 57.9 t -130.73 132.65 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.328 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 46.92 28.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 25.42 66.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' VAL . 73.9 ttp85 -130.54 131.01 44.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.939 0.4 . . . . 0.0 110.593 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -65.55 129.48 39.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.289 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.92 135.06 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.4 p -81.26 133.23 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.321 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 75' ' ' ASP . 35.4 m -76.7 121.75 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -71.81 9.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.632 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 19.0 p-10 -148.89 68.14 9.55 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.33 89.36 1.32 Allowed 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.978 2.452 . . . . 0.0 111.389 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.24 91.89 6.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.7 160.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.079 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 79' ' ' ILE . 94.1 mt -104.18 156.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.2 p -82.14 169.61 16.43 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -75.35 -23.61 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 m -68.99 -39.17 79.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLN . 61.2 m -78.59 0.55 25.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.287 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.445 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 5.5 mt-30 -36.73 -62.11 0.57 Allowed Pre-proline 0 N--CA 1.469 0.493 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.538 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' A' ' 84' ' ' GLN . 28.5 Cg_endo -60.43 143.58 99.47 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 122.112 1.874 . . . . 0.0 111.631 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -106.0 154.09 21.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.839 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -115.05 -154.41 0.55 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.329 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -64.11 148.14 50.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.02 152.75 52.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -139.02 157.81 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.62 132.55 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -81.77 123.78 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.306 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -91.93 132.61 36.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -91.55 -9.68 43.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.873 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.26 -14.7 26.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.504 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.4 m -124.1 -10.58 7.6 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.273 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 55.18 38.6 30.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.77 162.24 38.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -86.04 143.03 28.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -137.64 145.6 42.88 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.197 0.522 . . . . 0.0 111.031 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 165.13 44.21 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.5 -23.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.279 . . . . 0.0 110.831 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.52 -41.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.148 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -83.5 14.9 3.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.756 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.2 m-85 -128.29 139.27 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.301 0.572 . . . . 0.0 110.689 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -86.64 174.28 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.533 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.85 -37.97 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.831 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.61 81.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 105' ' ' PHE . 36.0 mt-30 -58.27 -42.07 85.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -81.06 -22.2 39.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -69.11 -38.0 78.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.27 168.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.632 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.8 -9.0 58.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.448 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -133.97 77.91 61.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.63 141.26 96.81 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.961 2.441 . . . . 0.0 112.087 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 55.7 mtp85 -138.37 127.01 23.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.444 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.674 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -50.85 154.21 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.383 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.01 -10.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.897 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mm -88.95 -36.04 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.1 OUTLIER -77.42 -30.76 53.64 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 18.5 m -67.26 -38.61 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -87.49 3.23 48.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.728 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.9 t -99.13 -52.13 3.63 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.536 ' C ' ' H ' ' A' ' 126' ' ' ASN . 78.3 mt-30 -97.36 8.36 44.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.555 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 56.81 3.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 124' ' ' GLN . 18.4 t-20 . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 43.2 ttm . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.68 39.55 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.53 -43.6 96.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.55 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.78 135.27 48.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.97 -0.65 57.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.03 4.75 47.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -91.94 1.29 57.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 137.2 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mp -111.2 132.97 53.9 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.003 0.43 . . . . 0.0 110.67 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.8 mp -96.84 152.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.7 ttt -94.5 129.49 41.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.1 137.74 43.48 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.36 0.6 . . . . 0.0 111.709 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.06 3.84 19.02 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' A' ' 46' ' ' ARG . 27.0 mmt180 -121.36 -90.52 0.58 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 p -66.09 2.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' ARG . 88.5 mtm180 41.32 35.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -95.16 114.36 26.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.371 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.95 114.53 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.357 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -138.93 164.38 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.35 -175.17 41.96 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 tt -49.93 -9.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 50' ' ' GLY . 30.1 t70 -67.99 -42.65 80.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -100.0 -2.04 35.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.77 126.02 54.36 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -58.06 156.31 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.266 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.63 -47.45 86.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.6 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.7 m -62.49 -44.59 96.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -54.17 -35.63 62.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -84.33 -16.77 41.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 63' ' ' PHE . 14.4 ttmm -68.6 -37.05 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 p -68.82 12.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.535 ' H ' ' C ' ' A' ' 61' ' ' LYS . 80.9 m-85 -122.72 147.96 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -129.58 160.87 31.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.179 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.84 54.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.3 p -133.89 137.37 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.671 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 48.16 23.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.766 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.72 25.72 57.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' VAL . 36.7 mmt180 -127.11 149.37 49.97 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -81.07 124.39 29.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.365 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.52 137.49 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -74.53 149.68 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.06 130.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.256 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.0 p -69.09 -34.89 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.207 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -135.13 75.08 60.93 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.858 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -80.62 142.94 14.73 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.727 2.285 . . . . 0.0 111.954 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -129.11 100.7 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.01 156.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 HG21 HD13 ' A' ' 79' ' ' ILE . 92.0 mt -104.47 118.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.42 166.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -76.55 -19.32 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -75.67 -25.78 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -83.64 -7.5 59.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.404 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.411 ' OE1' ' OE1' ' A' ' 87' ' ' GLN . 51.7 mt-30 -45.77 151.36 0.84 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.596 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 86' ' ' LYS . 43.0 Cg_endo -68.36 104.05 1.03 Allowed 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.49 2.127 . . . . 0.0 112.064 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 85' ' ' PRO . 87.3 tttt 40.73 98.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' OE1' ' A' ' 84' ' ' GLN . 55.8 tt0 -143.78 103.4 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -125.25 148.05 48.83 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.11 19.93 4.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 100' ' ' LYS . 6.5 t -57.39 170.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.385 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -129.99 132.65 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.208 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -87.8 118.19 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.007 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.5 t -81.99 133.23 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.7 p -88.71 -16.48 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.581 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.29 -11.95 50.81 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.474 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.6 m -115.29 -35.32 4.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.332 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.7 tp60 80.26 28.89 0.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -141.84 159.18 42.76 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.972 0.415 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.4 m -78.33 128.14 33.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' OG ' ' A' ' 90' ' ' SER . 13.9 mptt -121.08 138.24 54.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.89 155.06 21.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -69.19 -36.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.803 0.335 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.06 -40.45 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -81.23 19.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.18 152.46 47.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -91.09 160.99 15.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.154 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.62 -41.39 79.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.888 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.07 86.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.728 ' NE2' ' H ' ' A' ' 116' ' ' ARG . 2.6 mm100 -58.24 -23.93 57.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.362 0.601 . . . . 0.0 110.839 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -79.55 -25.75 41.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.44 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.31 -40.65 70.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.97 151.99 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.81 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.727 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -121.51 85.87 43.74 Favored Pre-proline 0 N--CA 1.465 0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.479 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.89 145.99 94.98 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.759 2.306 . . . . 0.0 111.976 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.728 ' H ' ' NE2' ' A' ' 109' ' ' GLN . 96.2 mtt180 -127.84 140.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 119' ' ' ILE . 28.8 p -71.12 149.75 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -50.94 -12.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.625 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.475 ' H ' ' C ' ' A' ' 117' ' ' CYS . 15.0 mm -89.28 -42.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 4.6 m -66.63 -33.32 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 10.4 m -72.67 -41.97 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.424 ' N ' ' CG2' ' A' ' 121' ' ' VAL . 36.5 m-70 -83.66 -6.48 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.434 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.4 t -63.53 -51.92 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -143.28 38.38 1.4 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 53.85 20.3 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.63 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.505 ' N ' ' SD ' ' A' ' 31' ' ' MET . 3.9 mpp? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.52 131.16 10.44 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -116.85 109.05 16.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -152.15 -141.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -78.82 -0.59 31.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -89.48 11.82 18.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.621 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.29 5.16 24.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.08 134.48 38.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.653 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.0 mt -126.98 118.76 25.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.22 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.532 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 2.7 mp -102.82 138.99 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.438 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 ttp -91.53 136.98 32.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -79.72 141.37 36.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.675 0.75 . . . . 0.0 111.753 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 ppp? -81.22 -2.98 50.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -89.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 110.891 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.93 -0.9 3.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 46.98 35.49 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -88.57 126.07 35.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.59 126.64 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.413 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -161.99 172.99 15.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.194 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -93.35 -169.29 39.02 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.42 -5.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' A' ' 50' ' ' GLY . 58.2 t0 -71.82 -48.35 46.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -92.38 -0.41 57.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.843 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.84 126.44 52.41 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -60.67 155.68 18.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.228 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.82 -43.2 99.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -63.57 -49.67 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.42 -41.63 96.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.499 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -63.08 -37.37 86.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 m -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.33 -20.42 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.514 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 58.3 p -76.59 -2.28 31.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 79.7 m-85 -123.41 145.31 48.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.972 0.415 . . . . 0.0 110.005 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p -127.78 158.61 37.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.138 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 120.31 40.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.497 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.49 132.21 68.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.344 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 50.91 27.53 3.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.79 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.0 18.77 78.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -122.79 145.04 48.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.587 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.6 m -77.46 124.0 27.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.224 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.89 134.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.504 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -69.83 141.26 53.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.35 138.66 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.268 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -69.73 -42.67 73.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.27 78.95 75.11 Favored Pre-proline 0 N--CA 1.465 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.37 112.9 3.27 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.574 2.182 . . . . 0.0 112.068 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -116.99 104.56 11.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 109.924 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 160.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 20.4 mm -102.65 114.76 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 84' ' ' GLN . 9.5 p -54.84 162.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 84.8 mtm180 -55.06 -44.04 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.496 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -57.98 -45.3 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.747 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.9 m -83.31 -14.91 51.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.294 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' CYS . 51.9 tt0 -63.23 129.3 93.38 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.867 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.09 154.01 57.36 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.419 2.079 . . . . 0.0 112.174 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -60.75 -73.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.166 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -138.25 81.74 1.87 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.975 0.417 . . . . 0.0 110.603 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -167.98 119.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.586 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -165.3 78.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 m -56.8 164.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -126.75 136.58 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -78.6 126.83 31.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.66 134.98 48.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.149 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.9 p -88.68 -24.94 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.46 74.21 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -101.0 -18.16 16.41 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 57.96 32.61 22.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.12 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -144.2 163.78 32.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.9 m -72.79 133.86 44.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -129.2 133.09 47.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.565 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.95 160.47 15.3 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -72.84 -35.46 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.939 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -57.08 -40.65 77.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.343 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -84.41 29.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.426 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -138.27 158.11 44.94 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.687 -179.843 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -92.64 168.77 11.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -76.89 -42.11 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.79 74.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -54.43 -31.89 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.149 0.5 . . . . 0.0 110.334 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -77.74 -7.14 56.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -92.84 -38.31 11.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.47 157.27 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.345 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.82 -36.44 83.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.732 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -115.72 101.38 54.14 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.046 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.73 134.84 12.39 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 122.236 1.957 . . . . 0.0 111.811 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.444 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 81.5 mtt-85 -129.26 140.28 51.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.418 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 m -53.73 148.98 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.14 -20.07 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.1 mm -88.97 -20.03 7.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.4 m -83.5 -31.3 26.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.09 -44.38 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -80.86 3.34 22.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.379 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.9 t -66.57 -78.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -137.32 -36.11 0.66 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -137.07 150.71 48.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.524 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.82 10.34 81.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -148.08 158.69 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.53 117.97 8.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 65.0 t0 -63.23 -30.46 71.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.551 ' C ' ' H ' ' A' ' 38' ' ' ALA . 7.5 m-20 -61.14 -40.28 93.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.542 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 37.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.577 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -78.41 179.23 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 83.1 mt -135.37 108.59 7.75 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.71 143.79 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 ttt -89.84 134.44 34.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -77.62 136.43 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ptm -79.39 3.41 18.45 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.549 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.47 -91.87 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 47' ' ' LYS . 30.2 p -63.84 -8.95 12.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.905 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 56.2 36.12 26.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 45' ' ' CYS . 40.3 mmtm -94.88 116.68 29.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.1 t -83.39 131.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.534 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -168.8 178.19 4.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.404 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.569 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -105.64 -167.18 23.54 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.326 -0.709 . . . . 0.0 111.326 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.54 -2.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' A' ' 50' ' ' GLY . 20.8 p-10 -72.67 -55.97 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.989 0.423 . . . . 0.0 110.592 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.446 ' H ' ' CG ' ' A' ' 52' ' ' ASP . 44.7 m -96.05 4.69 52.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.468 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.91 121.23 40.86 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -41.02 142.49 0.49 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.625 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.46 -41.52 98.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.71 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -60.41 -42.11 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.64 -37.36 87.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' A' ' 62' ' ' THR . 1.1 t-105 -59.94 -40.7 89.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.989 0.423 . . . . 0.0 110.797 -179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -62.97 -23.53 67.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.82 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.66 -24.97 41.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 63.5 p -67.77 -11.72 59.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -106.98 179.97 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.96 155.41 34.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.271 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 129.61 56.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.8 p -134.8 132.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 43.32 29.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.39 27.02 58.36 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.5 mtt180 -124.48 140.18 53.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.315 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -77.47 126.3 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.15 152.17 25.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.406 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -87.58 147.12 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.03 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 39.0 t -61.48 -44.49 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 74' ' ' SER . 29.4 m-20 -133.51 79.81 58.94 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.45 109.26 0.37 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.534 2.156 . . . . 0.0 112.158 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -115.95 94.65 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.534 0.683 . . . . 0.0 109.993 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.42 161.61 14.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.929 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.71 151.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.246 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.0 p -87.94 179.58 6.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.132 0.491 . . . . 0.0 110.802 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 99.7 mtt180 -66.96 -55.9 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 72.6 p -48.84 -45.69 41.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.77 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.2 m -75.56 -16.8 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.734 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -127.42 70.36 75.97 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.56 121.83 6.59 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.67 2.247 . . . . 0.0 111.987 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 63.3 mttp -63.84 -38.43 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' LYS . 5.0 tp-100 77.84 13.82 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -67.83 -37.64 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 90' ' ' SER . 55.7 t0 -142.92 135.6 27.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.345 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 15.2 p -143.23 164.95 28.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -126.69 130.03 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -85.69 111.47 20.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.9 t -73.89 132.82 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 p -89.42 -16.57 30.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.583 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.67 -11.57 53.46 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 85.0 m -117.05 -36.49 3.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.8 tt0 82.42 32.47 0.09 Allowed 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.617 0.573 . . . . 0.0 110.246 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -145.47 159.06 43.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -72.6 134.35 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 12.5 tptp -125.28 134.93 52.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.04 155.48 30.76 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.98 -36.51 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -56.3 -44.01 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.743 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 96.6 mt-10 -84.16 22.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.655 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -126.1 145.91 50.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.628 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 10.0 m -81.95 146.8 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.34 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.77 -39.02 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.782 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.23 89.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 111' ' ' HIS . 75.2 mt-30 -63.41 -53.57 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -39.73 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 0.0 110.755 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 109' ' ' GLN . 78.6 t60 -65.99 -40.86 91.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.851 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' GLN . 20.5 m -61.16 157.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.733 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.22 -22.03 62.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 26.0 p-10 -125.32 81.36 63.94 Favored Pre-proline 0 N--CA 1.467 0.386 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.364 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.73 142.59 82.65 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 111.97 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.47 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 96.1 mtt-85 -126.09 141.18 52.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 119' ' ' ILE . 25.3 p -75.16 153.52 38.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.532 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 95.5 mm-40 -50.88 -12.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.912 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.571 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.6 mp -89.97 -40.18 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.428 ' O ' ' OG ' ' A' ' 123' ' ' SER . 4.8 m -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 122' ' ' HIS . 11.5 m -70.86 -42.06 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.703 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.417 ' N ' ' CG2' ' A' ' 121' ' ' VAL . 39.8 t-80 -75.36 -1.52 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.579 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.496 ' OG ' ' N ' ' A' ' 124' ' ' GLN . 67.3 p -99.09 -69.2 0.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.718 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.496 ' N ' ' OG ' ' A' ' 123' ' ' SER . 78.4 mt-30 -92.3 38.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.516 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 43.89 -94.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 124' ' ' GLN . 25.8 t-20 . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.501 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.524 ' N ' ' SD ' ' A' ' 31' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.76 118.56 0.8 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.64 -43.39 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -75.38 97.94 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.437 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 31.5 p-10 -91.28 -1.49 57.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -64.18 -38.64 91.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 p30 -78.64 7.19 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.22 154.47 31.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.9 mt -113.27 131.42 55.93 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.824 0.345 . . . . 0.0 110.215 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.0 127.77 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.464 ' CE ' ' HE ' ' A' ' 46' ' ' ARG . 24.0 ttt -89.88 131.92 35.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.061 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 t -86.02 129.93 34.69 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 122.039 0.923 . . . . 0.0 111.5 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptm -79.98 5.39 14.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -118.22 -89.23 0.6 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.566 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.3 p -67.69 -17.17 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HE ' ' CE ' ' A' ' 41' ' ' MET . 47.0 ttt180 66.47 36.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.586 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -90.61 117.0 28.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.88 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.51 122.4 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.429 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -151.92 170.52 19.65 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.787 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -90.07 -174.67 45.25 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -53.4 -7.87 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 50' ' ' GLY . 96.6 m-20 -69.31 -44.68 71.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.405 0.622 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 p -91.53 4.18 53.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -126.47 138.45 53.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.751 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 t -72.85 159.27 34.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.501 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.69 -39.8 89.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.3 m -62.53 -50.4 71.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -67.18 -45.17 77.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.441 ' O ' ' OG1' ' A' ' 62' ' ' THR . 70.8 t90 -62.66 -37.75 87.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 0.0 110.623 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 m -57.04 -14.45 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -85.79 -11.39 53.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 59' ' ' TRP . 41.7 p -65.27 -13.18 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.488 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -142.8 152.93 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -122.94 166.6 14.8 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.2 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.66 134.01 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.567 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 52.73 25.4 3.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.86 25.07 65.42 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 mtp-105 -132.07 152.92 50.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -81.9 125.13 30.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -131.25 132.84 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -68.38 141.16 55.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.58 142.58 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.33 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.0 m -58.89 -43.66 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -145.82 86.63 7.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.91 116.13 2.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.557 2.171 . . . . 0.0 111.974 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.34 95.35 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.439 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.21 162.83 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.69 144.82 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.512 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 4.3 p -89.02 163.34 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 84' ' ' GLN . 99.7 mtt180 -58.01 -52.02 67.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.512 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 4.6 p -49.25 -38.73 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m -82.72 -11.31 58.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' ARG . 24.4 tt0 -109.42 71.59 0.51 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.739 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.18 -17.86 45.25 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.728 2.285 . . . . 0.0 111.781 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.83 140.63 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.323 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -170.44 16.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -66.9 -35.53 80.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 90' ' ' SER . 67.5 t0 -58.01 134.43 56.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 87.5 p -140.28 163.68 32.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.3 mt -126.29 131.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.205 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -80.62 126.81 31.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.4 t -104.22 135.75 45.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -98.56 -5.62 31.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.72 -20.76 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 74.7 m -113.01 -34.74 5.64 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 8.6 tt0 81.79 30.43 0.13 Allowed 'General case' 0 N--CA 1.461 0.097 0 O-C-N 123.444 0.465 . . . . 0.0 110.729 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -142.44 157.78 44.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.2 m -81.15 119.12 23.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -111.7 139.56 47.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.02 163.55 24.97 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.433 ' CG1' ' NH2' ' A' ' 110' ' ' ARG . 17.5 tt -74.68 -29.37 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.95 -42.2 97.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.785 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -82.62 16.8 2.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.94 137.6 53.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.426 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.482 ' HG ' ' CD ' ' A' ' 109' ' ' GLN . 76.5 p -84.23 171.97 12.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.506 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -72.31 -38.0 68.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.605 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.13 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 20.1 mt-30 -69.67 -9.18 53.25 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.227 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.433 ' NH2' ' CG1' ' A' ' 102' ' ' ILE . 39.3 ttm180 -89.65 -36.76 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.83 0.348 . . . . 0.0 110.585 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -71.16 -43.79 66.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -47.8 144.73 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.67 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.9 tp -65.16 -23.04 67.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -119.6 85.2 32.08 Favored Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.43 139.2 74.54 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.535 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 80.3 mtp85 -134.48 113.62 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.678 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.5 m -52.02 152.51 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.4 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mm-40 -48.3 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.821 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.56 ' CD1' ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -89.39 -61.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 1.4 p -59.84 -37.6 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.958 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.577 ' C ' ' H ' ' A' ' 123' ' ' SER . 10.6 p -71.9 -48.68 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.491 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 55.2 t-80 -64.69 8.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.62 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.577 ' H ' ' C ' ' A' ' 121' ' ' VAL . 8.0 t -111.38 -70.06 0.83 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.673 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -90.11 -5.12 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 54.26 -179.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.401 -179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.904 0.383 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.43 138.51 58.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.446 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 48' ' ' VAL . 5.8 mt -123.06 117.51 25.61 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.7 mm -96.41 128.6 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.72 133.97 38.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.71 135.27 34.02 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -88.51 -6.81 57.36 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 110.601 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.34 -60.85 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.8 p -107.5 20.2 19.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 40.84 36.88 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.027 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -108.08 134.38 51.04 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.294 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 39' ' ' LEU . 1.9 t -101.6 128.93 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.026 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -145.21 170.6 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.69 -175.0 36.88 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -54.25 -6.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -74.15 -55.29 6.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 9.38 17.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.497 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -123.2 127.55 48.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.435 ' CA ' ' HE ' ' A' ' 81' ' ' ARG . 31.1 t -59.73 148.78 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.64 -40.14 86.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.5 p -64.12 -46.7 83.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.658 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.418 HE22 HG13 ' A' ' 79' ' ' ILE . 86.8 mt-30 -67.75 -42.19 82.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.401 . . . . 0.0 110.736 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 62' ' ' THR . 74.2 t90 -62.46 -36.92 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -61.16 -30.7 70.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.48 ' O ' HG21 ' A' ' 73' ' ' VAL . 99.2 mttt -65.03 -7.56 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' TRP . 77.6 p -70.38 -18.48 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -144.5 153.43 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 71' ' ' VAL . 25.7 p -128.0 172.39 10.97 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.77 122.29 45.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.336 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ARG . 56.4 t -130.85 134.34 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.618 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 46.45 26.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.61 27.44 63.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' VAL . 61.3 ttt85 -133.2 133.68 43.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.905 0.383 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.6 m -64.42 131.39 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' THR . 11.0 m -138.22 141.22 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.657 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -82.13 132.78 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 61' ' ' LYS . 87.0 t -62.2 140.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.535 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -63.03 -42.23 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.469 ' H ' HG12 ' A' ' 73' ' ' VAL . 19.3 p-10 -149.25 83.54 6.54 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.562 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.53 118.69 3.58 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.725 2.283 . . . . 0.0 111.802 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -98.83 114.04 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 m -143.69 166.17 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.349 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HE22 ' A' ' 58' ' ' GLN . 10.0 pt -126.53 170.4 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.761 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 m -75.46 163.99 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.721 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HE ' ' CA ' ' A' ' 55' ' ' SER . 99.8 mtt180 -63.86 -35.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.425 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.443 ' H ' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -84.51 -25.67 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.649 0.261 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 132.52 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -79.0 127.48 32.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 15.1 t -104.26 136.37 43.99 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.212 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -4.05 29.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 93' ' ' CYS . . . -74.39 -39.06 62.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.747 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.41 -5.03 7.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 60.04 45.41 12.04 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.435 0.46 . . . . 0.0 111.001 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -75.99 133.02 40.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -138.09 148.8 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.42 172.68 54.53 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 pt -79.82 -11.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -66.61 -45.2 79.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.98 14.55 17.33 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.94 124.4 44.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.939 0.399 . . . . 0.0 110.394 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 t -61.19 153.03 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -62.51 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.636 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.78 84.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.44 -24.25 67.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -80.74 -33.95 34.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -67.98 -45.76 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.332 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.49 160.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.514 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.3 mt -81.88 -11.15 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.741 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -133.37 77.82 64.89 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.077 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.83 142.96 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.762 2.308 . . . . 0.0 112.134 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -132.05 128.17 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.6 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.2 m -48.47 145.68 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.36 -19.87 39.09 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.8 mp -90.23 -36.52 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.97 -37.3 85.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.065 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 122' ' ' HIS . 29.9 m -64.19 -38.32 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.665 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 86.5 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.838 0.351 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 178.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.575 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.5 mt -137.13 109.74 7.49 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.236 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.41 145.5 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.479 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.4 mtp -80.77 143.39 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' C ' ' H ' ' A' ' 44' ' ' ARG . 52.5 t -83.49 119.74 25.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 mtm -54.03 -4.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.059 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 42' ' ' CYS . 9.8 mpt_? -112.84 -85.23 0.58 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.949 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.4 p -79.14 0.61 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 44.47 45.54 7.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.292 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -101.75 100.66 11.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.04 124.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.519 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -142.05 148.33 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.377 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.16 -179.79 28.67 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.4 -15.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.278 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.95 -49.67 23.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 110.786 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.59 6.0 45.56 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' C ' HH21 ' A' ' 81' ' ' ARG . 1.9 m-85 -127.79 139.71 52.49 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.303 0.573 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -64.74 150.82 46.62 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.836 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -62.0 -35.93 80.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.533 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -62.22 -48.71 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 52.1 mt-30 -67.65 -42.06 82.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -60.73 -38.23 84.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' PHE . 8.1 t -60.45 -20.58 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -79.04 -17.35 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.942 0.401 . . . . 0.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.7 p -70.7 -19.12 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.642 ' HA ' HG23 ' A' ' 73' ' ' VAL . 36.5 p90 -147.95 157.77 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.421 HG23 ' CG2' ' A' ' 73' ' ' VAL . 68.8 p -131.27 171.77 12.94 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.265 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -113.45 113.76 25.62 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.006 0.432 . . . . 0.0 109.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.8 m -133.79 148.3 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.637 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 53.21 18.78 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.455 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.02 25.4 69.18 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -136.46 143.12 43.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 0.0 110.623 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -68.27 126.62 30.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.237 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.97 133.87 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.004 0.431 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 p -77.36 149.79 35.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.293 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.763 HG12 ' H ' ' A' ' 75' ' ' ASP . 57.4 t -93.09 117.46 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -65.89 6.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.763 ' H ' HG12 ' A' ' 73' ' ' VAL . 32.6 t70 -141.87 67.78 23.24 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.507 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.11 85.24 1.71 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.698 2.266 . . . . 0.0 111.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -101.05 98.99 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.153 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.7 159.68 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 84.2 mt -105.02 155.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.652 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.463 ' N ' HG22 ' A' ' 79' ' ' ILE . 14.2 p -86.28 164.22 17.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.932 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.465 HH21 ' C ' ' A' ' 54' ' ' TYR . 99.5 mtt180 -66.47 -23.47 66.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -72.79 -44.5 61.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 72.1 m . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.391 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.673 0.273 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -124.63 133.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.377 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 93' ' ' CYS . 8.5 t-105 -81.98 138.18 34.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.405 ' N ' ' CD1' ' A' ' 92' ' ' TRP . 13.8 t -113.96 133.3 55.56 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.5 p -89.9 -21.53 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.406 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.49 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.669 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.64 -22.88 14.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 69.05 35.24 2.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.06 162.06 39.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.5 m -78.93 139.19 38.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.364 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -134.26 140.46 46.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.398 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.35 157.97 31.96 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.8 tt -71.79 -31.49 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.38 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.64 -41.28 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -85.12 22.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.701 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -127.19 144.97 50.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.477 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -78.06 154.71 31.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.422 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -74.84 -40.56 60.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.038 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.69 80.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.769 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.898 ' O ' HG22 ' A' ' 112' ' ' VAL . 2.5 mp0 -58.81 -53.31 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.443 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -40.23 -23.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 110.773 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' GLN . 53.6 t-80 -67.49 -41.23 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 109' ' ' GLN . 17.7 m -66.76 164.55 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.1 mt -85.98 -7.45 58.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.8 p-10 -135.39 74.88 59.72 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.077 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.49 137.22 72.29 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.594 2.196 . . . . 0.0 111.964 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.471 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 54.3 mtm180 -124.36 133.6 53.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.574 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -61.49 151.91 31.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -55.99 -9.66 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' C ' ' A' ' 117' ' ' CYS . 5.4 mm -88.19 -39.62 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.983 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -75.25 -28.88 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.547 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -72.17 -40.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.943 0.402 . . . . 0.0 110.856 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 121' ' ' VAL . 44.0 t-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 145.96 50.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.114 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 49' ' ' LYS . 43.8 mt -114.84 128.06 56.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.193 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 40' ' ' ILE . 2.9 mp -107.59 127.65 63.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.499 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.4 ttt -87.52 132.02 34.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 t -81.84 123.99 29.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 ptm -69.07 1.43 3.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.811 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -111.35 -87.91 0.53 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.31 14.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' ARG . 35.9 mmt180 39.39 35.24 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.48 124.27 36.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -99.61 130.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.5 mmtt -161.63 171.79 17.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.992 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.99 -171.41 40.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 tt -52.04 -6.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.604 0.24 . . . . 0.0 111.367 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 50' ' ' GLY . 47.6 t0 -70.94 -48.71 51.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.775 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 p -89.05 4.09 49.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -123.76 135.15 53.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.904 0.383 . . . . 0.0 110.732 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -69.46 159.35 33.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.23 -42.12 94.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.173 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -50.2 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 89.2 mt-30 -64.51 -42.51 95.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.58 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -60.49 -22.47 63.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' HG21 ' A' ' 73' ' ' VAL . 98.5 mttt -77.73 -10.08 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.498 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -70.77 -17.0 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.811 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -144.29 155.41 43.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -120.06 170.69 9.06 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.67 121.17 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.07 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 63.7 t -126.66 127.32 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.888 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 41.5 35.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.69 29.43 63.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 66' ' ' VAL . 39.6 ttm180 -128.22 129.52 46.56 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 110.347 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -69.33 127.55 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 64' ' ' THR . 5.2 m -132.29 132.54 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.4 t -76.13 140.59 41.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 61' ' ' LYS . 67.8 t -70.0 141.65 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.331 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.9 p -69.8 -38.49 76.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 73' ' ' VAL . 52.4 t0 -144.6 80.47 11.71 Favored Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.78 117.87 3.7 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.523 2.149 . . . . 0.0 112.231 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -107.99 107.95 18.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -144.98 157.48 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.027 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 80' ' ' CYS . 94.8 mt -99.47 154.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.445 ' N ' HG22 ' A' ' 79' ' ' ILE . 13.8 p -82.57 170.06 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 110.943 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.66 -36.18 78.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.484 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -65.63 -35.09 79.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.191 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.252 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.823 0.344 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.9 mt -130.92 136.64 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.414 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -75.8 123.78 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.579 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.9 t -99.91 131.78 45.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.91 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.6 p -92.28 -11.01 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.155 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.84 -25.69 27.9 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 97.1 m -104.88 -37.92 6.83 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.647 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 81.88 35.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.622 -178.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -150.61 165.85 32.08 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 m -75.14 140.31 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.232 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -136.34 140.76 43.54 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.72 167.51 29.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.423 HD11 ' NH2' ' A' ' 110' ' ' ARG . 10.4 tp -78.84 -27.3 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.689 0.28 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 33.4 p-10 -61.2 -43.64 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.171 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 97.0 mt-10 -81.28 20.11 0.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 0.0 110.394 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.501 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.4 m-85 -134.67 148.45 50.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -93.56 173.42 7.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.315 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -76.61 -33.48 58.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.994 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.197 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 116' ' ' ARG . 5.1 mp0 -57.36 -21.97 39.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 110.197 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.423 ' NH2' HD11 ' A' ' 102' ' ' ILE . 97.7 mtt180 -72.79 -37.31 67.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.19 -44.52 91.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.31 149.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.1 mt -76.62 -11.5 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.715 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 20.7 p-10 -129.76 80.25 71.86 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.1 144.39 99.39 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.654 2.236 . . . . 0.0 111.84 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 42.2 mtm-85 -139.59 123.25 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.414 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.501 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 4.0 m -41.61 154.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.91 -21.15 42.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mm -88.86 -20.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.62 -35.0 30.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.199 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 34.5 m -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 110.583 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 34.9 m80 . . . . . 0 C--O 1.234 0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.2 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.03 0.443 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' HD22 ' A' ' 39' ' ' LEU . . . -64.14 144.94 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 49' ' ' LYS . 4.4 mm? -112.57 125.38 54.2 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 HG21 ' A' ' 62' ' ' THR . 7.9 mm -93.49 126.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.571 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.9 ttt -81.91 131.04 35.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.427 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.56 127.17 33.91 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.517 0.675 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.513 ' O ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.8 -0.75 5.8 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.543 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -118.67 -76.64 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.602 0.239 . . . . 0.0 111.503 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.4 p -82.32 0.1 43.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 38.67 41.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HE2' ' HZ1' ' A' ' 49' ' ' LYS . 72.9 tttt -99.09 86.6 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.474 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.6 m -46.24 129.91 2.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 39' ' ' LEU . 11.8 mmtp -144.76 147.93 33.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.568 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.52 175.6 52.35 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 tt -52.88 -15.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.54 -45.51 65.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 111.205 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.41 4.3 54.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.452 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -121.65 133.34 54.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 147.62 34.98 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.43 -40.66 95.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.598 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -62.12 -47.32 85.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.66 -40.73 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -62.47 -37.06 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -62.92 -21.22 65.88 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.47 -10.83 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.426 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.515 HG21 HD12 ' A' ' 40' ' ' ILE . 50.9 p -75.55 -15.28 60.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.971 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HA ' HG23 ' A' ' 73' ' ' VAL . 44.6 p90 -148.38 159.25 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.4 p -128.75 172.66 11.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.62 116.68 32.37 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.66 132.3 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.064 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 45.1 33.73 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.282 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.52 73.29 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -132.14 133.04 43.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.865 0.364 . . . . 0.0 110.535 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.0 m -67.17 128.93 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' THR . 3.7 m -128.68 127.86 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.452 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 p -73.18 151.66 41.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 75' ' ' ASP . 58.7 t -99.42 117.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -71.89 19.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.752 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 73' ' ' VAL . 22.0 t70 -150.13 63.97 6.51 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.29 80.62 3.03 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.45 2.1 . . . . 0.0 111.625 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -101.94 95.1 6.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 109.806 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.29 163.87 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.009 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.78 123.62 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.1 p -65.1 169.93 4.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.81 -37.68 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 m -60.93 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.005 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 179.432 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.87 130.78 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -86.29 130.01 34.66 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.98 143.36 30.28 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.371 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 p -101.79 -12.49 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.979 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.19 -11.62 29.99 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -127.09 -5.83 6.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.161 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 50.06 26.25 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.033 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -132.13 142.67 49.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 40.4 m -91.74 129.67 37.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -127.97 159.99 33.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.67 170.99 45.25 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 102' ' ' ILE . 17.1 pt -73.46 -20.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.313 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -62.51 -41.51 98.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -90.7 18.53 6.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -129.56 147.26 51.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 t -75.81 152.8 37.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.431 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.93 -42.7 94.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.77 88.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 116' ' ' ARG . 88.3 mm-40 -62.17 -30.35 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -79.81 -21.89 43.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.593 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 14.6 t-80 -91.17 17.76 7.77 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 m -134.46 160.42 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.1 OUTLIER -89.0 36.15 0.81 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -163.33 59.39 0.82 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -67.4 138.75 47.29 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.194 1.929 . . . . 0.0 112.465 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.509 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mtt-85 -136.11 115.32 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.108 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -42.87 150.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.792 0.33 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -53.93 -9.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.79 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 117' ' ' CYS . 94.0 mt -88.89 -49.9 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.667 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.7 OUTLIER -63.71 -27.41 69.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.495 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 122' ' ' HIS . 13.6 m -71.1 -43.55 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.099 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 121' ' ' VAL . 68.7 m80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.901 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.906 0.384 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 143.25 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.67 111.38 15.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.09 133.12 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.421 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 ptm -82.58 135.8 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.26 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -82.05 118.42 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.738 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -64.52 -2.29 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.44 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -85.79 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 47' ' ' LYS . 28.2 p -109.69 4.76 22.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' CYS . 99.7 mtt180 55.5 41.31 30.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.409 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CD ' ' SG ' ' A' ' 45' ' ' CYS . 6.7 mtpm? -97.87 130.45 44.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.073 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -91.78 121.21 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.653 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -150.65 165.31 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.201 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -100.68 -168.77 28.69 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.28 -4.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.306 . . . . 0.0 111.619 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 50' ' ' GLY . 95.9 m-20 -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.627 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.72 5.74 20.34 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.509 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.94 125.94 48.71 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.918 0.39 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -63.24 155.09 29.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.989 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.0 p -60.71 -47.6 85.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -68.61 -51.58 40.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 62' ' ' THR . 76.2 t90 -55.65 -34.23 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 m -61.32 -34.87 75.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.198 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -7.38 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.456 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' TRP . 80.8 p -68.93 -19.97 64.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -139.37 148.77 43.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.12 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 71' ' ' VAL . 16.0 p -124.06 165.53 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.72 123.07 44.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.009 0.433 . . . . 0.0 110.335 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.48 135.43 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.226 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 52.7 23.8 2.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.957 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.29 17.55 66.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -130.51 150.49 51.69 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.687 0.28 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' THR . 13.4 t -80.92 131.9 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.513 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 64' ' ' THR . 3.2 m -129.94 128.48 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.906 0.384 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.6 p -63.95 128.83 37.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.073 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.57 134.68 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.149 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -60.2 -41.91 93.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.0 80.93 8.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.752 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.12 144.81 23.97 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.169 1.913 . . . . 0.0 112.002 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -116.74 115.73 26.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.95 165.28 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.44 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 80' ' ' CYS . 76.4 mt -124.98 163.9 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.397 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' N ' HG22 ' A' ' 79' ' ' ILE . 4.0 m -76.52 158.57 31.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.35 -37.7 88.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.249 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -74.35 -37.77 63.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.217 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.971 -179.664 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.4 mt -132.12 135.91 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -84.53 124.65 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 t -101.55 137.11 40.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 p -97.29 -12.06 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.37 24.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.81 -30.3 12.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 77.4 26.57 0.69 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -139.92 157.2 46.07 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.4 m -81.14 126.8 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -118.28 136.53 53.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.167 0.508 . . . . 0.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.05 168.73 23.87 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.98 -32.48 56.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 111.006 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.88 -41.17 99.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -79.82 10.39 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.08 140.1 52.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.527 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 26.9 m -80.84 165.58 21.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -75.19 -43.57 51.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.885 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.14 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 112' ' ' VAL . 39.1 mm-40 -69.63 -61.14 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.795 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -56.56 -5.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 56.2 t-80 -94.53 18.54 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.801 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 109' ' ' GLN . 3.3 m -130.58 164.36 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.345 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.7 -41.33 99.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.24 95.8 40.28 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.409 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -75.91 138.06 20.48 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.63 1.554 . . . . 0.0 112.351 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -126.73 128.82 47.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.758 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -56.39 149.23 17.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.527 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 5.6 mp0 -53.22 -10.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 117' ' ' CYS . 20.6 mm -88.14 -48.01 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -65.86 -31.43 72.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.947 -179.143 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.0 m -68.38 -40.66 82.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.053 0.454 . . . . 0.0 110.65 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.491 ' N ' HG23 ' A' ' 121' ' ' VAL . 22.1 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.193 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.915 0.388 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.08 154.38 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.298 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 49' ' ' LYS . 57.7 mt -119.09 127.2 53.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.64 131.05 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.451 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.5 ttt -81.21 130.1 34.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.454 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 44' ' ' ARG . 49.0 t -81.29 118.64 22.79 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 121.365 0.602 . . . . 0.0 110.716 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -62.6 -0.46 0.62 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.691 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 42' ' ' CYS . 12.2 tpt180 -109.62 -84.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.623 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.1 p -79.8 -3.3 47.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.837 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 52.77 42.13 31.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -102.42 93.69 5.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.478 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -57.39 120.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.224 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.477 ' CB ' ' OG ' ' A' ' 53' ' ' SER . 28.2 mmtp -139.72 164.22 30.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.4 -175.4 43.35 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -56.18 -5.85 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.093 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 26.6 p-10 -74.42 -50.5 18.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.88 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -91.3 1.69 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.83 129.44 55.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' HH21 ' A' ' 81' ' ' ARG . 41.7 t -59.7 152.65 22.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.192 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -57.59 -38.52 75.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -50.04 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 87.4 mt-30 -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.566 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 90.4 t90 -63.81 -39.37 94.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.2 p -70.82 -28.58 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -64.96 -28.39 69.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.538 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 70.1 p -66.62 -7.49 20.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.167 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.538 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 71.7 m-85 -119.59 141.89 48.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.983 0.42 . . . . 0.0 110.008 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -118.01 158.31 25.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.269 0.556 . . . . 0.0 110.002 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.08 135.54 43.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.516 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.0 p -139.83 133.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.619 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 42.88 26.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.46 28.67 38.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.8 mtt180 -131.04 149.38 52.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.7 m -86.15 123.08 31.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.38 135.75 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -66.31 145.07 56.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG22 HG23 ' A' ' 64' ' ' THR . 55.7 t -71.79 143.32 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.566 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.5 m -70.41 -44.68 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -138.78 80.8 24.27 Favored Pre-proline 0 N--CA 1.463 0.224 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.182 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.84 139.7 14.05 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.588 2.192 . . . . 0.0 112.434 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.1 110.57 11.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.328 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.18 164.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 60.8 mt -107.79 141.84 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -78.53 167.46 21.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.484 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.401 HH21 ' HA ' ' A' ' 55' ' ' SER . 93.4 mtt-85 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -71.87 -42.47 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.014 -179.494 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.87 0.367 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.8 mt -127.66 133.0 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -78.84 130.25 35.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.51 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.9 t -108.68 133.84 52.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.941 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -95.19 -13.17 25.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.89 -26.7 36.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.39 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -109.43 -29.67 8.32 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 75.09 31.86 0.81 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.423 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -143.39 159.51 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -77.76 134.81 37.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.449 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 8.7 tptp -132.66 141.77 48.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.56 160.63 23.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.6 tt -73.11 -33.54 42.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.87 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -58.84 -41.47 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.471 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 97.5 mt-10 -79.59 16.97 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -124.3 144.24 50.1 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.577 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.1 t -88.47 165.59 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.334 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.02 -45.59 77.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.23 90.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -59.48 -26.69 65.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.33 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -82.75 -30.08 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -66.25 -44.17 84.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.52 160.06 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 113' ' ' LEU . 9.4 mp -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.16 79.33 74.58 Favored Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.16 134.84 66.04 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.722 2.281 . . . . 0.0 112.431 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.466 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 45.3 mtt-85 -132.95 136.92 46.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.518 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.668 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -68.0 151.44 47.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -54.29 -9.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.554 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -88.44 -49.04 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.406 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.668 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -64.51 -28.74 69.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.809 -178.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.78 -30.61 12.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 82.5 t60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.419 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 p30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.927 0.394 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 139.32 55.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -116.57 125.45 51.88 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.05 130.09 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -86.87 144.92 26.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 44' ' ' ARG . 36.3 t -80.45 121.31 25.57 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.928 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HG2' ' H ' ' A' ' 43' ' ' MET . 16.0 ptm -62.83 0.67 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.762 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 26.4 ttp180 -118.21 -72.47 0.69 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.06 -18.74 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.255 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 56.97 34.16 24.46 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -104.81 132.21 51.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.329 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.44 123.51 43.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -144.52 163.93 32.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.439 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -88.12 179.3 46.79 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.42 -4.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 50' ' ' GLY . 21.1 p-10 -74.47 -47.02 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.83 5.46 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.608 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -124.61 135.52 53.17 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.3 p -66.92 156.88 34.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.391 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -62.71 -41.56 99.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.3 m -62.72 -48.3 79.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.43 -42.19 88.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.529 ' O ' HG23 ' A' ' 62' ' ' THR . 80.2 t90 -68.01 -36.14 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.1 m -62.48 -31.44 72.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.97 -3.33 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' TRP . 64.3 p -74.06 -17.72 60.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.767 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.52 154.34 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -129.44 170.17 14.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.385 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.92 121.64 44.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.458 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ARG . 53.1 t -129.83 134.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.562 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 46.79 27.9 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.6 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.9 26.72 64.02 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' VAL . 78.9 ttt-85 -132.49 133.47 43.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 127.81 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.09 133.47 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.394 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.76 137.05 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.449 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.8 t -65.88 -42.06 90.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.06 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -139.71 82.33 18.23 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -81.42 117.83 3.15 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.645 2.23 . . . . 0.0 111.712 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -104.88 113.85 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.974 0.416 . . . . 0.0 110.389 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.2 m -150.15 158.27 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.392 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.467 HG22 ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -115.44 140.96 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.372 -179.46 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.491 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.3 p -54.52 168.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.38 -36.06 82.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.491 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 10.3 p -61.43 -22.4 64.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.545 ' SG ' ' CZ ' ' A' ' 44' ' ' ARG . 1.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.654 0.264 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.34 133.45 66.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.234 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -82.34 113.91 20.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.145 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.67 132.62 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -90.23 -18.41 25.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.3 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.96 -27.0 15.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.49 30.76 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -141.84 160.81 39.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -75.89 133.73 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -136.24 141.93 43.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.656 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.67 28.61 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.76 -23.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 14.9 p30 -57.49 -42.38 82.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 89.1 mt-10 -86.19 28.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.49 143.9 50.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.175 0.512 . . . . 0.0 110.575 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.3 m -81.65 174.44 11.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.433 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.64 -36.38 82.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 112' ' ' VAL . . . -84.32 -46.69 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 35.8 mt-30 -48.82 -29.42 4.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.609 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -93.36 -10.89 33.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.509 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 52.3 t-80 -125.38 18.28 8.23 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.542 HG22 ' N ' ' A' ' 113' ' ' LEU . 14.9 p -97.5 162.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' VAL . 14.0 mt -62.9 -39.14 93.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' H ' HG22 ' A' ' 112' ' ' VAL . 25.0 m-20 -123.57 80.75 54.44 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.193 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.75 130.35 36.76 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.123 2.549 . . . . 0.0 112.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 7.7 mtp180 -144.09 117.92 9.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.325 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -42.74 156.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.684 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.437 ' N ' HE22 ' A' ' 109' ' ' GLN . 87.1 mt-30 -62.49 -9.99 10.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.664 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.29 -27.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.637 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -83.67 -26.85 29.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.328 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 m -79.54 -26.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.9 m170 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.857 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.862 0.363 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.17 179.76 7.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 49' ' ' LYS . 58.8 mt -137.43 95.76 3.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.996 0.427 . . . . 0.0 110.732 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.03 138.49 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.1 ttt -77.03 140.61 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.21 138.66 33.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' MET . 5.5 ptt? -79.69 -3.02 45.5 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.36 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 46' ' ' ARG . 58.1 mtp180 -115.6 -88.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 19.7 p -66.32 6.63 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 44' ' ' ARG . 86.5 mtm-85 36.74 46.86 0.5 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.017 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 25.9 ttmt -115.17 123.69 49.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.439 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.97 131.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' NZ ' ' CD ' ' A' ' 47' ' ' LYS . 33.5 mttp -146.01 154.03 41.42 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -108.83 -177.12 21.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -52.93 -6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 50' ' ' GLY . 50.1 t0 -72.94 -56.29 5.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.93 0.395 . . . . 0.0 110.666 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -91.23 16.96 8.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.335 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.25 139.1 50.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 p -66.45 155.66 36.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.326 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.51 -39.35 94.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -63.49 -47.66 80.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.56 -39.45 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -62.2 -39.99 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' PHE . 37.7 m -59.38 -29.8 67.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.648 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' HG21 ' A' ' 73' ' ' VAL . 62.1 mttm -70.52 -12.15 61.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -75.55 -19.07 59.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 32.3 p90 -148.56 156.68 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 110.243 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 73' ' ' VAL . 22.2 p -130.4 168.92 16.19 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.97 123.95 47.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -134.43 136.68 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 51.23 22.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.2 25.06 64.66 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.57 133.76 38.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.509 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -60.9 128.84 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.205 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' THR . 16.3 m -136.81 153.0 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 t -86.34 137.52 32.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.684 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 64' ' ' THR . 20.2 t -60.83 154.08 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.5 m -61.41 -41.83 97.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.13 79.53 7.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.411 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -77.28 118.21 4.6 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.695 2.263 . . . . 0.0 111.906 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -125.02 125.79 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.16 148.1 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 79' ' ' ILE . 7.7 tt -94.27 127.41 46.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.6 p -64.7 161.6 17.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -67.17 -39.61 86.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 m -53.31 -40.09 64.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.491 HG12 HG22 ' A' ' 102' ' ' ILE . 5.1 mm -118.46 131.91 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.56 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TRP . 11.8 t90 -80.53 111.07 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -87.92 130.49 34.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.482 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -93.26 -9.12 40.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.17 -36.47 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.47 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 68.6 m -98.52 -26.8 14.31 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 71.25 35.16 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.355 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -146.23 161.31 40.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 79.1 m -79.59 138.78 37.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -142.41 146.92 35.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.75 165.91 36.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.491 HG22 HG12 ' A' ' 91' ' ' ILE . 32.9 pt -80.42 -16.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.824 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.18 -42.11 99.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.607 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -84.78 22.22 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.31 136.76 53.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.073 0.463 . . . . 0.0 110.685 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -75.64 167.2 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.364 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -63.27 -40.65 98.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.94 -41.65 82.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -57.11 -37.17 71.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.624 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -81.14 -11.04 59.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -96.63 -45.91 6.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.767 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.2 m -52.2 173.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 113' ' ' LEU . 10.3 mp -88.97 -11.58 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 12.4 p30 -133.75 77.99 62.21 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.313 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.75 147.42 92.26 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.894 2.396 . . . . 0.0 112.059 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -154.25 126.66 7.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.7 OUTLIER -47.35 147.95 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.44 -8.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.188 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -89.38 -28.18 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.034 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -82.01 -33.15 30.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.119 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.3 m -63.68 -37.22 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.45 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.43 ' N ' HG23 ' A' ' 121' ' ' VAL . 76.5 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.2 t0 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.811 0.339 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.38 176.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.42 117.56 14.43 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.5 mt -101.68 142.09 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.76 130.0 38.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 t -84.0 156.16 22.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.291 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -107.2 -9.14 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.366 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -101.47 -58.62 1.85 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 17.0 p -102.82 -3.91 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.764 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 56.1 31.98 19.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.494 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 17.7 ttmm -87.07 133.35 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.15 127.7 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -167.67 178.03 5.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.682 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.571 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.58 -167.51 35.19 Favored Glycine 0 CA--C 1.517 0.199 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -50.79 -4.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.826 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 50' ' ' GLY . 68.3 t0 -71.06 -53.69 13.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.11 6.74 43.75 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.76 139.9 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 p -67.82 160.12 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.49 -40.85 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.558 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -65.96 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -48.17 -42.83 30.7 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.39 0.614 . . . . 0.0 110.57 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -61.24 -38.42 86.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.408 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.9 m -79.02 -11.31 60.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.988 0.423 . . . . 0.0 111.074 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -78.49 -26.54 45.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.47 ' C ' HG23 ' A' ' 73' ' ' VAL . 65.6 p -75.41 10.89 1.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.15 149.99 50.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 0.0 110.395 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -134.89 158.46 44.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.252 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.09 122.5 44.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.486 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' ARG . 55.3 t -130.53 131.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 46.79 32.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.376 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.89 70.85 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' VAL . 79.5 ttt-85 -130.7 138.35 49.97 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.396 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.5 m -73.61 126.34 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.39 134.66 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m -70.08 149.23 47.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.47 HG23 ' C ' ' A' ' 62' ' ' THR . 92.7 t -82.6 128.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.1 p -66.87 -33.27 75.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -126.08 75.05 72.26 Favored Pre-proline 0 N--CA 1.466 0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HB2' HG22 ' A' ' 62' ' ' THR . 58.8 Cg_endo -80.06 111.15 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.644 2.229 . . . . 0.0 111.57 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -102.52 87.36 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.24 160.96 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.284 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 pt -117.32 167.72 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.769 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -78.04 166.65 22.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.874 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.11 -37.35 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -76.48 -27.23 56.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.777 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.328 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.486 HD11 HH11 ' A' ' 110' ' ' ARG . 96.1 mt -124.62 133.02 70.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -77.57 114.26 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.8 t -90.35 133.51 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.71 -10.27 34.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.656 0.265 . . . . 0.0 110.313 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.07 -26.57 22.47 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.612 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 90.5 m -100.42 -38.12 8.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.757 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 30.3 tt0 82.08 31.07 0.11 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.459 0.475 . . . . 0.0 110.283 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -151.45 167.66 27.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 m -76.01 137.27 40.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -135.64 140.58 44.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.65 164.97 25.16 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 tt -78.24 -24.03 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 110.809 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.14 -42.1 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.713 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -81.94 22.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.717 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.711 ' HA ' HE22 ' A' ' 118' ' ' GLN . 2.0 m-85 -130.84 142.79 50.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.908 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -93.29 179.25 5.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.524 ' N ' ' OG ' ' A' ' 106' ' ' SER . 63.9 mttp -74.58 -39.48 62.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.136 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.05 86.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.551 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 9.7 mp0 -59.9 -37.91 80.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.303 0.573 . . . . 0.0 110.462 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.486 HH11 HD11 ' A' ' 91' ' ' ILE . 77.8 mtp85 -71.21 -38.69 72.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.87 -43.88 90.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.88 150.78 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.5 -12.94 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.48 81.72 67.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.2 144.52 95.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.808 2.339 . . . . 0.0 111.786 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -146.54 125.71 12.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' CYS . 3.5 m -41.73 145.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.605 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.711 HE22 ' HA ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -48.15 -29.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.752 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -80.35 -22.71 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' CYS . 99.4 m -80.98 -42.59 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 121' ' ' VAL . 2.4 p -76.35 -34.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 7.6 m-70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.255 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 66.3 t0 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.695 0.283 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 39' ' ' LEU . . . -106.62 126.29 52.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.355 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 38' ' ' ALA . 10.8 mp -113.83 137.13 52.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.146 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.04 132.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.5 ttp -83.75 136.0 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.77 143.93 52.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.07 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ptp -80.76 -5.98 57.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -120.13 -48.41 2.33 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.907 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 m -84.28 -20.62 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.699 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 58.24 24.42 11.44 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -105.12 136.31 44.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.687 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.8 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.18 144.93 35.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.19 172.87 28.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -43.72 -24.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.312 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 53' ' ' SER . 35.5 p-10 -73.99 -43.78 56.87 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.958 0.408 . . . . 0.0 111.026 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.2 m -93.73 8.54 40.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 131.71 53.5 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -57.08 144.48 34.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.069 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.0 -40.19 94.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.651 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 58' ' ' GLN . 25.2 p -58.77 -51.32 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 57' ' ' THR . 16.4 mp0 -67.29 -41.07 86.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.267 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -58.29 -38.31 76.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.5 t -63.11 -22.19 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 73' ' ' VAL . 65.7 mttm -84.45 -21.15 30.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 0.0 110.595 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 p -66.95 -1.92 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.631 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -160.81 166.53 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.1 p -134.1 169.55 16.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.18 130.65 55.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.427 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 5.7 p -140.92 137.88 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 43.52 21.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 82.48 29.93 34.82 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 88.9 mtm180 -134.84 132.57 38.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.639 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -68.51 132.57 47.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.471 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 64' ' ' THR . 6.8 m -132.79 133.91 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.965 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m -77.28 141.28 40.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 74' ' ' SER . 24.5 t -70.08 156.02 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.416 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 73' ' ' VAL . 10.7 t -67.52 -43.99 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.842 0.354 . . . . 0.0 111.01 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -148.31 80.34 8.55 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.307 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 117.58 4.17 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.436 2.09 . . . . 0.0 112.01 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -107.13 107.16 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.072 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.2 158.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.18 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.79 153.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.4 p -82.36 -175.1 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.644 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -74.44 -34.49 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 82' ' ' THR . 10.3 p -56.6 -49.43 74.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.245 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.812 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.704 0.287 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 105' ' ' PHE . 82.3 mt -130.03 134.16 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.663 ' CH2' HG22 ' A' ' 94' ' ' THR . 11.2 t90 -87.83 127.25 35.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.62 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.11 133.63 37.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' CH2' ' A' ' 92' ' ' TRP . 2.5 p -91.49 -9.65 43.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.508 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -93.89 -15.41 25.03 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.557 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.3 m -115.39 -20.08 10.44 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.56 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 60.46 29.07 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -134.79 152.65 51.93 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -81.53 130.89 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.517 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -127.13 139.69 52.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.03 165.55 5.46 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.52 -35.78 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.943 0.402 . . . . 0.0 110.79 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.34 -39.24 86.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.565 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.46 9.04 1.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.502 ' CB ' HD12 ' A' ' 91' ' ' ILE . 1.3 m-85 -129.09 148.85 51.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.683 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.3 t -88.6 171.2 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.338 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.76 -44.86 63.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.117 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 112' ' ' VAL . 81.5 mt-30 -56.95 -26.14 59.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -87.02 -15.88 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 0.0 110.331 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -90.27 17.87 6.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 109' ' ' GLN . 14.8 m -126.2 159.43 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 110.101 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.534 ' N ' HD22 ' A' ' 113' ' ' LEU . 4.0 mm? -64.0 -39.21 93.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD2' HG21 ' A' ' 94' ' ' THR . 7.7 t70 -120.35 85.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.78 141.92 92.2 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.492 2.128 . . . . 0.0 111.798 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -130.58 119.55 22.68 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.5 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 31.9 p -46.37 144.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' CA ' HE22 ' A' ' 109' ' ' GLN . 10.5 pt20 -52.48 -11.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.825 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.419 ' N ' ' C ' ' A' ' 117' ' ' CYS . 39.1 mm -88.42 -39.41 12.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.488 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.634 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 3.7 m -69.17 -33.64 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 122' ' ' HIS . 6.5 m -74.46 -40.25 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.715 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 14.9 t-80 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.8 t0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.49 173.57 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.706 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp -139.53 110.76 6.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.118 0.485 . . . . 0.0 110.032 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -100.98 146.5 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.61 135.75 35.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.89 139.4 39.24 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.103 0.477 . . . . 0.0 110.157 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.2 ptm -77.67 -5.67 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.033 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -118.06 -85.37 0.65 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.154 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.7 p -66.28 -4.56 8.09 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.603 0.239 . . . . 0.0 111.518 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 48.06 36.5 6.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.46 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -91.72 127.22 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.061 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.22 114.15 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -149.08 170.78 17.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.384 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -106.13 -166.52 23.07 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -48.97 -7.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -71.09 -49.51 43.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.482 . . . . 0.0 110.011 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.5 m -87.64 4.61 43.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.872 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.87 142.02 51.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.039 0.447 . . . . 0.0 111.133 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.1 t -69.46 160.64 31.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.502 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.12 -41.27 98.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.901 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 m -62.85 -46.14 89.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 49.7 mt-30 -64.71 -48.47 74.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.013 0.435 . . . . 0.0 111.379 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' O ' ' OG1' ' A' ' 62' ' ' THR . 6.8 t-105 -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.25 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.3 p -66.67 -20.3 65.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -78.49 -20.05 51.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.369 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.519 ' OG1' ' CE2' ' A' ' 63' ' ' PHE . 72.5 p -71.65 -7.62 49.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CE2' ' OG1' ' A' ' 62' ' ' THR . 42.9 m-85 -124.78 146.13 49.38 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.971 0.415 . . . . 0.0 110.247 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.509 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -123.46 155.85 36.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.867 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 122.07 44.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.196 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -128.9 131.11 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.063 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 50.81 26.03 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.99 15.61 78.63 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -117.61 143.91 45.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.794 0.331 . . . . 0.0 110.355 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -77.89 123.62 26.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.214 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.02 134.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.2 p -69.64 147.23 50.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 64' ' ' THR . 96.3 t -70.45 141.89 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.384 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.9 p -66.76 -41.95 86.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.019 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' H ' HG12 ' A' ' 73' ' ' VAL . 1.9 m-20 -151.07 79.07 7.03 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.313 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 140.87 14.95 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.127 1.885 . . . . 0.0 112.535 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -120.73 109.86 15.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.16 148.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.12 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 89.3 mt -87.9 153.3 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 79' ' ' ILE . 13.7 p -93.13 155.01 17.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -61.04 -29.77 69.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.085 0.469 . . . . 0.0 110.564 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 m -65.2 -38.02 89.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.389 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.476 -178.855 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.753 0.311 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.02 138.04 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -85.28 138.02 32.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.737 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 14.8 t -110.42 137.88 47.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -96.41 -12.41 24.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -84.38 -21.69 30.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.8 m -121.23 -10.98 8.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.57 35.55 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.207 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -141.47 155.87 45.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.737 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -86.36 140.68 29.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -135.97 147.49 48.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.456 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.97 165.25 26.34 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 tt -69.38 -32.72 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.37 -41.31 96.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.47 5.27 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -121.9 141.45 51.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.726 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -87.23 163.7 16.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.07 -37.49 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.62 88.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.529 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -75.88 -16.64 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.147 0.499 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.07 -20.55 44.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -85.86 -43.48 13.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.5 m -54.31 167.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.408 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 113' ' ' LEU . 7.4 mp -81.64 -15.63 53.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -131.22 79.18 71.08 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.4 140.71 95.58 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.451 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 91.3 mtt180 -129.13 141.13 51.28 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.89 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -66.06 145.19 56.14 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.827 0.346 . . . . 0.0 110.308 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -50.65 -10.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.478 ' H ' ' C ' ' A' ' 117' ' ' CYS . 81.5 mt -87.89 -49.44 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.7 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -64.02 -31.95 73.32 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.148 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -68.74 -41.4 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.604 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.497 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.8 t-80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.157 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 52.8 t0 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.92 138.27 49.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 40' ' ' ILE . 11.4 mt -105.55 127.31 52.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -91.11 137.21 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.1 ttt -85.59 123.15 30.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.421 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 17.1 t -86.1 147.69 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptm -97.7 -8.02 29.6 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.92 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -87.55 -58.81 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.058 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -104.0 14.75 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.582 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 41.27 30.31 0.12 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.917 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -107.2 155.55 19.79 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.52 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.255 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -134.49 140.63 46.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.57 170.66 38.84 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 tt -45.71 -26.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -72.84 -40.22 65.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p -96.83 10.39 39.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.309 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.48 141.05 49.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.964 0.411 . . . . 0.0 110.701 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.0 t -60.84 148.97 37.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.119 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.14 -43.15 99.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.5 m -62.51 -49.49 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -60.31 -46.82 88.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -61.76 -38.32 87.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -72.67 -26.53 61.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.21 -12.66 61.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' VAL . 44.5 p -87.75 5.68 38.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.948 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.76 147.44 48.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 110.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 p -132.85 160.28 37.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.21 117.16 32.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.066 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.55 147.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.529 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 53.37 18.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.723 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.14 24.01 69.95 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -66.19 127.78 33.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.21 136.77 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.5 m -72.6 145.95 46.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 62' ' ' THR . 72.6 t -71.23 154.35 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.401 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 p -92.36 -34.27 14.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.709 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' N ' HG12 ' A' ' 73' ' ' VAL . 6.9 p-10 -128.08 70.67 78.57 Favored Pre-proline 0 N--CA 1.466 0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.165 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.67 89.52 1.11 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.743 2.295 . . . . 0.0 112.177 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 91.56 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.65 162.8 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.956 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 80' ' ' CYS . 87.2 mt -115.38 159.74 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.927 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 3.3 m -78.24 169.47 18.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -70.26 -35.58 73.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.402 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 p -82.95 -25.81 32.0 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.772 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.285 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.724 0.297 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.465 HD11 ' HE ' ' A' ' 110' ' ' ARG . 96.7 mt -132.92 136.03 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -84.58 135.24 34.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -99.08 124.69 44.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 p -95.07 -10.43 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -73.7 -45.89 49.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.87 -6.3 14.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.96 38.96 3.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -129.16 141.06 51.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.0 m -81.22 133.39 35.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -135.89 146.29 47.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.68 167.25 54.48 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 102' ' ' ILE . 30.5 pt -72.34 -16.35 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.11 -42.38 84.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 44.4 mp0 -94.11 14.99 18.25 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.526 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.442 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -119.88 130.44 54.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.435 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.551 ' HG ' ' CD ' ' A' ' 109' ' ' GLN . 5.5 p -58.79 147.86 31.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.058 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -64.99 -41.14 95.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.96 73.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.551 ' CD ' ' HG ' ' A' ' 106' ' ' SER . 2.1 mp0 -63.34 -45.22 92.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.465 ' HE ' HD11 ' A' ' 91' ' ' ILE . 34.1 mtp180 -56.7 -3.08 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 109' ' ' GLN . 75.5 m80 -114.92 21.23 14.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.411 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 109' ' ' GLN . 2.0 m -127.21 158.73 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 113' ' ' LEU . 10.3 mp -64.7 -40.8 95.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.02 94.79 48.72 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.03 0.206 . . . . 0.0 110.507 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -77.57 130.7 10.94 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.432 2.088 . . . . 0.0 111.846 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.442 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 85.1 mtt85 -108.59 128.26 54.67 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.381 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.421 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.6 p -60.06 150.73 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -50.09 -14.99 0.18 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 117' ' ' CYS . 77.9 mt -88.34 -40.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.2 m -67.83 -36.16 79.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 122' ' ' HIS . 17.1 m -68.92 -36.55 74.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 84.6 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.645 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.926 0.393 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.72 141.38 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.442 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.01 125.07 52.52 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' ' CE1' ' A' ' 54' ' ' TYR . 31.6 mm -111.65 128.04 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 110.251 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -104.57 138.35 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.999 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -90.34 152.22 21.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 111.872 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -82.16 2.12 33.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.423 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -107.2 -93.14 0.4 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 110.664 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -7.75 44.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 59.28 38.82 23.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.331 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.521 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 21.3 mttm -78.8 126.85 31.26 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.64 123.7 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.681 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -168.37 177.2 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -81.46 -171.68 45.71 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.39 -3.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.193 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 50' ' ' GLY . 66.2 t0 -73.98 -54.51 7.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -78.71 3.38 16.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 40' ' ' ILE . 6.8 m-85 -126.65 137.6 53.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.094 0.473 . . . . 0.0 110.555 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.2 p -70.56 154.7 41.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.379 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 60' ' ' SER . 21.0 m -62.75 -48.4 79.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -70.02 -40.91 74.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 83.8 t90 -64.21 -36.37 83.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.699 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' THR . 91.1 p -61.79 -22.4 65.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.3 -5.25 46.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TRP . 47.6 p -67.48 -10.33 50.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HA ' HG23 ' A' ' 73' ' ' VAL . 25.0 p90 -145.95 155.46 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.435 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.4 p -125.78 175.61 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.982 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE1' ' OG1' ' A' ' 70' ' ' THR . 0.2 OUTLIER -120.99 144.06 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.155 -179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.2 t -132.16 124.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.871 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.578 HH21 ' NH1' ' A' ' 69' ' ' ARG . 49.7 ptt85 34.18 36.14 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.05 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.79 32.26 13.44 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.578 ' NH1' HH21 ' A' ' 67' ' ' ARG . 62.4 ttp180 -134.7 121.24 20.51 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.944 0.402 . . . . 0.0 110.719 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.507 ' OG1' ' CE1' ' A' ' 65' ' ' PHE . 25.5 m -72.83 128.69 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.44 141.15 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.9 m -78.34 141.22 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.55 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' A' ' 63' ' ' PHE . 83.0 t -73.83 134.98 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 m -65.42 -40.16 93.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.935 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.25 84.1 8.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.512 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.35 118.66 4.34 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.297 1.998 . . . . 0.0 111.998 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.21 103.11 14.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.61 164.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -119.98 128.21 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 83' ' ' CYS . 14.3 p -56.41 161.95 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.261 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -69.94 -22.71 63.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.33 -22.16 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.544 ' N ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 121.009 0.433 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.2 mt -129.59 134.55 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -84.65 128.25 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.4 t -103.72 137.4 41.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.779 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p -98.76 -10.44 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.13 22.7 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -100.41 -31.79 11.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 79.22 26.77 0.42 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.11 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -140.82 156.56 46.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.2 m -85.28 138.88 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -135.59 146.84 48.36 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.312 0.577 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.33 169.04 50.18 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.024 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.05 -23.99 25.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.726 0.298 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -63.2 -42.77 99.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.144 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 80.0 mm-40 -88.83 13.91 11.51 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.44 139.11 54.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.495 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.6 m -77.49 161.9 27.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.408 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 107' ' ' LYS . 1.2 mptm? -70.06 -43.87 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.507 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -58.4 -26.03 62.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.21 0.528 . . . . 0.0 110.076 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -73.18 -37.24 66.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -60.57 -44.03 96.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.457 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 109' ' ' GLN . 34.2 m -67.17 146.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.308 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 113' ' ' LEU . 9.6 mp -66.16 -23.23 66.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.479 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -125.38 82.4 62.77 Favored Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.3 142.21 94.77 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.554 2.169 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.442 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 96.9 mtt180 -128.79 120.98 27.35 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.639 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -54.31 152.65 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.022 0.439 . . . . 0.0 110.747 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.495 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.6 mp0 -54.89 -10.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -88.01 -48.15 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.8 OUTLIER -66.78 -30.55 70.79 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.046 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.5 -35.69 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.749 0.309 . . . . 0.0 110.566 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.754 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.6 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -49.27 -179.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.202 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 49' ' ' LYS . 85.2 mt -139.53 109.44 6.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 0.0 110.229 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.52 150.08 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ttt -88.91 135.28 33.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.421 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.36 147.87 37.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.5 ptm -94.69 -6.64 42.77 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -107.81 -63.15 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.75 0.31 . . . . 0.0 111.599 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 19.4 p -95.49 -3.44 46.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 55.23 29.63 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.747 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 tttm -91.72 121.2 33.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.67 133.19 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.334 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.1 mmtt -168.08 172.54 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.926 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -103.85 -168.21 25.25 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 tt -50.42 -8.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.599 0.238 . . . . 0.0 111.459 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 50' ' ' GLY . 63.5 t0 -69.89 -46.88 64.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.751 0.31 . . . . 0.0 110.458 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.71 4.08 52.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.799 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.4 133.56 54.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 156.75 23.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.896 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -60.4 -40.46 91.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -62.37 -48.82 78.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 87.7 mt-30 -61.19 -44.57 97.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.73 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.42 -38.44 84.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.139 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 m -66.06 -20.57 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -79.3 -24.94 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.572 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.0 p -68.55 -7.22 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.62 177.91 4.53 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.648 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.02 150.77 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.8 135.26 49.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.07 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 69' ' ' ARG . 47.0 t -132.39 112.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.041 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 40.62 42.86 1.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.09 68.49 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.0 tpt180 -118.83 123.45 44.78 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.231 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -73.02 125.01 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.328 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.64 139.9 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.3 t -79.1 147.62 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' THR . 60.4 t -72.29 134.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.368 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -63.17 -44.45 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.25 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -147.5 79.78 9.43 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -80.2 149.32 19.56 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.494 2.129 . . . . 0.0 112.219 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -120.09 105.2 10.78 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.205 0.526 . . . . 0.0 110.465 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.98 159.68 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.36 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.531 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 11.9 pt -109.54 160.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.35 166.99 20.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -60.96 -39.74 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.4 p -63.48 -29.82 71.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.607 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -125.93 132.32 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.228 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.73 123.3 30.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.521 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.05 132.83 35.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -90.88 -12.66 35.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.38 -17.54 27.07 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.471 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.04 -11.25 8.92 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 55.08 36.31 26.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.709 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -141.64 157.09 45.52 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -83.39 137.9 33.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -136.9 146.47 45.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.165 0.507 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.31 167.08 44.15 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.4 pt -77.2 -20.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.734 0.302 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -65.21 -42.34 93.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 96.2 mt-10 -84.17 17.32 2.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.64 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.91 141.12 51.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.31 0.576 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -73.98 163.27 28.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.419 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.29 -27.81 67.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.58 -36.22 22.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.08 -36.07 80.57 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -79.49 -8.43 59.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.439 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -94.03 -44.97 7.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.436 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.3 m -52.99 177.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.88 -15.7 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -133.84 77.65 62.58 Favored Pre-proline 0 C--N 1.332 -0.195 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.37 141.25 94.8 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.785 2.323 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -135.71 132.63 37.15 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.644 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.6 OUTLIER -60.76 150.81 31.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.493 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 7.6 mp0 -55.46 -10.21 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.167 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' N ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -87.81 -43.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.644 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -70.9 -30.56 66.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.972 -179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 122' ' ' HIS . 12.3 m -70.81 -38.09 71.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.83 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 35.2 m170 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.725 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 147.6 53.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 40' ' ' ILE . 18.6 mt -118.86 132.84 56.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.9 mp -107.51 140.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.3 ttt -95.92 122.09 38.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.427 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 t -70.56 137.18 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.229 0.538 . . . . 0.0 111.0 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 5.7 ptt? -82.78 6.43 18.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -123.65 -91.46 0.55 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.365 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.7 p -64.85 -10.13 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.499 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 56.05 36.46 27.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.825 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.03 108.75 19.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.007 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -82.83 117.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -153.79 175.85 12.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.608 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -96.52 -168.69 34.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -52.29 -7.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 49.6 t0 -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -91.21 2.05 56.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 5.6 m-85 -127.22 137.58 52.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -75.46 164.55 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.407 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.22 -37.4 87.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.2 m -59.92 -51.33 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -75.85 -42.3 49.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.92 -40.75 89.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 m -81.37 -9.17 59.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 63' ' ' PHE . 10.9 ttmm -79.22 -33.67 43.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.424 ' C ' HG23 ' A' ' 73' ' ' VAL . 34.6 p -68.99 10.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.5 m-85 -123.24 148.61 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.984 0.421 . . . . 0.0 110.271 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.7 p -128.96 159.21 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.251 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -109.01 115.47 30.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.11 148.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 54.45 18.96 2.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.22 24.35 66.27 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -134.19 162.52 31.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.396 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 m -86.96 126.74 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.19 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 64' ' ' THR . 22.7 m -134.48 152.53 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.568 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 p -78.55 159.5 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.452 HG22 HG23 ' A' ' 64' ' ' THR . 75.7 t -90.1 132.13 35.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.264 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.9 t -62.13 -43.4 98.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -132.08 80.42 64.52 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.731 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.42 137.86 13.47 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.589 2.193 . . . . 0.0 111.955 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -120.89 95.27 4.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.167 0.508 . . . . 0.0 110.745 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.38 167.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 167.13 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.541 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -79.71 157.02 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 90.5 mtm180 -55.66 -42.36 74.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.101 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 m -59.83 -39.98 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.413 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.66 129.11 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.011 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -79.35 112.41 16.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 5.4 t -89.17 134.52 33.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.351 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.52 -7.97 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.235 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -90.34 -11.19 41.38 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.679 ' HB3' HE21 ' A' ' 98' ' ' GLN . 96.8 m -122.55 -34.96 3.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.423 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.4 tp60 80.72 35.83 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.494 0.496 . . . . 0.0 110.24 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.679 HE21 ' HB3' ' A' ' 96' ' ' CYS . 11.6 pt20 -150.62 167.1 28.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.522 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 141.21 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.472 ' NZ ' ' OE1' ' A' ' 98' ' ' GLN . 30.0 mmtm -136.91 144.96 43.75 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.977 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.32 168.3 54.81 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -80.67 -11.31 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -64.9 -44.75 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.16 17.86 14.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.2 OUTLIER -123.13 136.78 54.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.018 0.437 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 m -67.59 149.28 50.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.408 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.42 -42.11 99.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.421 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.62 82.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.05 -17.95 59.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.587 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -84.53 -18.79 34.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -88.88 -40.41 13.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.293 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 m -55.61 152.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 0.0 110.599 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.18 -30.87 71.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.641 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -121.18 99.62 46.08 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.455 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.71 138.97 19.58 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.516 2.144 . . . . 0.0 112.074 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.93 126.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.445 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 66.9 m -43.1 142.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.524 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 3.3 tp-100 -45.47 -26.84 0.62 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 120' ' ' CYS . 10.5 tp -89.4 -37.49 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.57 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 5.7 m -53.46 -40.64 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.229 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.7 m -68.9 -39.72 80.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.494 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.435 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.2 m80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.676 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 53.8 t0 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.944 0.402 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.01 143.18 58.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.502 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -119.43 123.55 44.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 110.425 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.6 mp -94.62 140.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.7 ttt -87.62 122.69 31.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.578 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 43.9 t -85.12 110.0 18.66 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -63.03 -8.72 7.96 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.031 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -85.36 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.23 15.58 28.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.732 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.2 mtt-85 42.97 29.18 0.17 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -89.54 136.7 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.61 118.69 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -146.55 167.36 23.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.253 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.98 -176.53 42.39 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.213 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -49.63 -11.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.153 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 50' ' ' GLY . 64.4 t0 -66.84 -42.17 86.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.089 0.471 . . . . 0.0 110.551 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -100.23 7.15 44.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.921 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -125.48 136.7 53.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.173 0.511 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.3 t -69.05 150.6 47.45 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -58.95 -40.32 84.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.03 -49.85 74.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.13 -38.22 81.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -67.45 -38.95 85.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -61.6 -12.86 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.37 -9.88 57.02 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.6 p -66.77 -1.87 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -158.57 161.09 37.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.456 HG23 ' CG1' ' A' ' 73' ' ' VAL . 37.4 p -133.71 170.19 15.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.143 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 122.77 47.31 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 69' ' ' ARG . 57.9 t -130.73 132.65 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.328 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 46.92 28.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 25.42 66.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 66' ' ' VAL . 73.9 ttp85 -130.54 131.01 44.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.939 0.4 . . . . 0.0 110.593 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -65.55 129.48 39.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.289 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 64' ' ' THR . 6.3 m -133.92 135.06 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.4 p -81.26 133.23 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.321 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 73' ' ' VAL . 35.4 m -76.7 121.75 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -71.81 9.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.632 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 19.0 p-10 -148.89 68.14 9.55 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.33 89.36 1.32 Allowed 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.978 2.452 . . . . 0.0 111.389 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.24 91.89 6.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.7 160.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.079 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 80' ' ' CYS . 94.1 mt -104.18 156.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.492 ' N ' HG22 ' A' ' 79' ' ' ILE . 17.2 p -82.14 169.61 16.43 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -75.35 -23.61 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 m -68.99 -39.17 79.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.287 -179.521 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.845 0.355 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.62 132.55 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -81.77 123.78 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.306 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -91.93 132.61 36.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -91.55 -9.68 43.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.873 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 116' ' ' ARG . . . -93.26 -14.7 26.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.504 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.4 m -124.1 -10.58 7.6 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.273 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 55.18 38.6 30.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.77 162.24 38.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -86.04 143.03 28.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -137.64 145.6 42.88 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.197 0.522 . . . . 0.0 111.031 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 165.13 44.21 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.5 -23.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.279 . . . . 0.0 110.831 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.52 -41.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.148 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -83.5 14.9 3.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.756 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.2 m-85 -128.29 139.27 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.301 0.572 . . . . 0.0 110.689 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -86.64 174.28 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.533 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.85 -37.97 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.831 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.61 81.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 105' ' ' PHE . 36.0 mt-30 -58.27 -42.07 85.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -81.06 -22.2 39.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -69.11 -38.0 78.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.27 168.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.632 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.555 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -84.8 -9.0 58.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -133.97 77.91 61.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.63 141.26 96.81 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.961 2.441 . . . . 0.0 112.087 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 55.7 mtp85 -138.37 127.01 23.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.444 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.674 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -50.85 154.21 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.383 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.01 -10.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.897 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mm -88.95 -36.04 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.1 OUTLIER -77.42 -30.76 53.64 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 18.5 m -67.26 -38.61 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.3 m-70 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.728 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.967 0.413 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 137.2 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 40' ' ' ILE . 1.7 mp -111.2 132.97 53.9 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.003 0.43 . . . . 0.0 110.67 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.743 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.8 mp -96.84 152.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.7 ttt -94.5 129.49 41.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.1 137.74 43.48 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.36 0.6 . . . . 0.0 111.709 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.06 3.84 19.02 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' A' ' 46' ' ' ARG . 27.0 mmt180 -121.36 -90.52 0.58 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 p -66.09 2.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 44' ' ' ARG . 88.5 mtm180 41.32 35.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -95.16 114.36 26.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.371 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.95 114.53 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.357 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -138.93 164.38 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.35 -175.17 41.96 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 tt -49.93 -9.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 50' ' ' GLY . 30.1 t70 -67.99 -42.65 80.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -100.0 -2.04 35.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.77 126.02 54.36 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -58.06 156.31 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.266 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.63 -47.45 86.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.6 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.7 m -62.49 -44.59 96.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -54.17 -35.63 62.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -84.33 -16.77 41.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 63' ' ' PHE . 14.4 ttmm -68.6 -37.05 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 p -68.82 12.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 61' ' ' LYS . 80.9 m-85 -122.72 147.96 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -129.58 160.87 31.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.179 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.84 54.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.3 p -133.89 137.37 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.671 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 48.16 23.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.766 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.72 25.72 57.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' VAL . 36.7 mmt180 -127.11 149.37 49.97 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -81.07 124.39 29.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.365 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.52 137.49 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -74.53 149.68 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.06 130.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.256 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.0 p -69.09 -34.89 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.207 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -135.13 75.08 60.93 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.858 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -80.62 142.94 14.73 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.727 2.285 . . . . 0.0 111.954 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -129.11 100.7 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.01 156.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -104.47 118.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.42 166.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -76.55 -19.32 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -75.67 -25.78 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.404 -179.616 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -129.99 132.65 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.208 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -87.8 118.19 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.007 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.5 t -81.99 133.23 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.7 p -88.71 -16.48 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.581 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.619 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -86.29 -11.95 50.81 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.474 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.6 m -115.29 -35.32 4.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.332 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.7 tp60 80.26 28.89 0.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -141.84 159.18 42.76 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.972 0.415 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.4 m -78.33 128.14 33.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -121.08 138.24 54.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.89 155.06 21.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -69.19 -36.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.803 0.335 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -57.06 -40.45 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -81.23 19.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.18 152.46 47.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -91.09 160.99 15.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.154 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.62 -41.39 79.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.888 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.07 86.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.451 HE21 HG11 ' A' ' 121' ' ' VAL . 40.9 mm-40 -58.24 -23.93 57.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.362 0.601 . . . . 0.0 110.839 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -79.55 -25.75 41.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.44 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.31 -40.65 70.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.97 151.99 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.81 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.727 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -121.51 85.87 43.74 Favored Pre-proline 0 N--CA 1.465 0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.479 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.89 145.99 94.98 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.759 2.306 . . . . 0.0 111.976 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -127.84 140.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.441 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.8 p -71.12 149.75 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -50.94 -12.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.625 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 117' ' ' CYS . 15.0 mm -89.28 -42.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.6 m -66.63 -33.32 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.4 m -72.67 -41.97 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.514 ' N ' HG23 ' A' ' 121' ' ' VAL . 36.5 m-70 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.434 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.017 0.437 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.08 134.48 38.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.653 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 40' ' ' ILE . 41.0 mt -126.98 118.76 25.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.22 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 40' ' ' ILE . 2.7 mp -102.82 138.99 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.438 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 ttp -91.53 136.98 32.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 36.9 t -79.72 141.37 36.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.675 0.75 . . . . 0.0 111.753 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 ppp? -81.22 -2.98 50.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -89.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 110.891 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.93 -0.9 3.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 79.4 mtp85 46.98 35.49 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -88.57 126.07 35.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.59 126.64 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.413 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.6 mmtt -161.99 172.99 15.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.194 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -93.35 -169.29 39.02 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.42 -5.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 50' ' ' GLY . 58.2 t0 -71.82 -48.35 46.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -92.38 -0.41 57.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.843 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.84 126.44 52.41 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -60.67 155.68 18.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.228 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.82 -43.2 99.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -63.57 -49.67 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.42 -41.63 96.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.499 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -63.08 -37.37 86.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 m -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.33 -20.42 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.514 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 58.3 p -76.59 -2.28 31.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 79.7 m-85 -123.41 145.31 48.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.972 0.415 . . . . 0.0 110.005 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 73' ' ' VAL . 16.1 p -127.78 158.61 37.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.138 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 120.31 40.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.497 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.49 132.21 68.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.344 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 50.91 27.53 3.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.79 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.0 18.77 78.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -122.79 145.04 48.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.587 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.6 m -77.46 124.0 27.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.224 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.89 134.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.504 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -69.83 141.26 53.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 64' ' ' THR . 73.6 t -66.35 138.66 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.268 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -69.73 -42.67 73.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.27 78.95 75.11 Favored Pre-proline 0 N--CA 1.465 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.37 112.9 3.27 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.574 2.182 . . . . 0.0 112.068 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -116.99 104.56 11.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 109.924 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 160.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 20.4 mm -102.65 114.76 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.5 p -54.84 162.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 84.8 mtm180 -55.06 -44.04 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.496 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -57.98 -45.3 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.747 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.294 179.596 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.771 0.32 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -126.75 136.58 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -78.6 126.83 31.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.66 134.98 48.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.149 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.9 p -88.68 -24.94 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.46 74.21 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -101.0 -18.16 16.41 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 57.96 32.61 22.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.12 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -144.2 163.78 32.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.9 m -72.79 133.86 44.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -129.2 133.09 47.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.565 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.95 160.47 15.3 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -72.84 -35.46 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.939 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -57.08 -40.65 77.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.343 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -84.41 29.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.426 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -138.27 158.11 44.94 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.687 -179.843 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -92.64 168.77 11.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -76.89 -42.11 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.79 74.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -54.43 -31.89 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.149 0.5 . . . . 0.0 110.334 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -77.74 -7.14 56.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -92.84 -38.31 11.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.47 157.27 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.345 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.82 -36.44 83.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.732 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -115.72 101.38 54.14 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.046 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.73 134.84 12.39 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 122.236 1.957 . . . . 0.0 111.811 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.444 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 81.5 mtt-85 -129.26 140.28 51.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.418 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 m -53.73 148.98 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.14 -20.07 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.1 mm -88.97 -20.03 7.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.4 m -83.5 -31.3 26.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 122' ' ' HIS . 33.7 m -76.09 -44.38 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.526 ' N ' HG23 ' A' ' 121' ' ' VAL . 32.3 m170 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.379 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.706 0.289 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.41 179.23 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.446 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 49' ' ' LYS . 83.1 mt -135.37 108.59 7.75 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.418 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.71 143.79 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 ttt -89.84 134.44 34.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -77.62 136.43 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ptm -79.39 3.41 18.45 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.549 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.47 -91.87 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 47' ' ' LYS . 30.2 p -63.84 -8.95 12.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.905 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 56.2 36.12 26.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 45' ' ' CYS . 40.3 mmtm -94.88 116.68 29.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.1 t -83.39 131.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.534 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' C ' HD23 ' A' ' 39' ' ' LEU . 6.1 tptm -168.8 178.19 4.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.404 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -105.64 -167.18 23.54 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.326 -0.709 . . . . 0.0 111.326 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.54 -2.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 50' ' ' GLY . 20.8 p-10 -72.67 -55.97 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.989 0.423 . . . . 0.0 110.592 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -96.05 4.69 52.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.468 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.91 121.23 40.86 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 28.9 t -41.02 142.49 0.49 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.625 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.46 -41.52 98.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.71 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -60.41 -42.11 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.64 -37.36 87.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.94 -40.7 89.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.989 0.423 . . . . 0.0 110.797 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -62.97 -23.53 67.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.82 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.66 -24.97 41.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 73' ' ' VAL . 63.5 p -67.77 -11.72 59.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -106.98 179.97 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -154.96 155.41 34.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.271 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 129.61 56.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.8 p -134.8 132.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 43.32 29.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.39 27.02 58.36 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.5 mtt180 -124.48 140.18 53.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.315 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -77.47 126.3 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 64' ' ' THR . 28.0 m -138.15 152.17 25.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.406 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -87.58 147.12 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 62' ' ' THR . 76.4 t -67.03 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 39.0 t -61.48 -44.49 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 74' ' ' SER . 29.4 m-20 -133.51 79.81 58.94 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.45 109.26 0.37 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.534 2.156 . . . . 0.0 112.158 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -115.95 94.65 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.534 0.683 . . . . 0.0 109.993 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.42 161.61 14.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.929 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.71 151.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.246 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.439 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.0 p -87.94 179.58 6.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.132 0.491 . . . . 0.0 110.802 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 99.7 mtt180 -66.96 -55.9 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.439 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 72.6 p -48.84 -45.69 41.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.77 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.734 179.483 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -126.69 130.03 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -85.69 111.47 20.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.9 t -73.89 132.82 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 p -89.42 -16.57 30.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.583 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -85.67 -11.57 53.46 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 85.0 m -117.05 -36.49 3.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.8 tt0 82.42 32.47 0.09 Allowed 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.617 0.573 . . . . 0.0 110.246 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -145.47 159.06 43.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -72.6 134.35 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 12.5 tptp -125.28 134.93 52.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.04 155.48 30.76 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.98 -36.51 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -56.3 -44.01 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.743 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 96.6 mt-10 -84.16 22.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.655 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -126.1 145.91 50.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.628 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 m -81.95 146.8 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.34 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.77 -39.02 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.782 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.23 89.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.938 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.2 mt-30 -63.41 -53.57 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -39.73 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 0.0 110.755 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 109' ' ' GLN . 78.6 t60 -65.99 -40.86 91.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.851 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.938 HG22 ' O ' ' A' ' 109' ' ' GLN . 20.5 m -61.16 157.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.733 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.22 -22.03 62.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 114' ' ' ASP . 26.0 p-10 -125.32 81.36 63.94 Favored Pre-proline 0 N--CA 1.467 0.386 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.364 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.73 142.59 82.65 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 111.97 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.47 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 96.1 mtt-85 -126.09 141.18 52.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 119' ' ' ILE . 25.3 p -75.16 153.52 38.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.403 ' C ' HD12 ' A' ' 119' ' ' ILE . 29.8 mm100 -50.88 -12.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.912 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.6 mp -89.97 -40.18 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.8 m -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.5 m -70.86 -42.06 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.703 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.518 ' N ' HG23 ' A' ' 121' ' ' VAL . 39.8 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.579 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 p30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.831 0.348 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.22 154.47 31.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 49' ' ' LYS . 35.9 mt -113.27 131.42 55.93 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.824 0.345 . . . . 0.0 110.215 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.8 mp -101.0 127.77 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.485 ' CE ' ' HE ' ' A' ' 46' ' ' ARG . 24.0 ttt -89.88 131.92 35.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.061 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 6.4 t -86.02 129.93 34.69 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 122.039 0.923 . . . . 0.0 111.5 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptm -79.98 5.39 14.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -118.22 -89.23 0.6 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.566 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.3 p -67.69 -17.17 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HE ' ' CE ' ' A' ' 41' ' ' MET . 47.0 ttt180 66.47 36.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.586 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -90.61 117.0 28.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.88 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.51 122.4 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.429 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.7 mmtp -151.92 170.52 19.65 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.787 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -90.07 -174.67 45.25 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -53.4 -7.87 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 50' ' ' GLY . 96.6 m-20 -69.31 -44.68 71.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.405 0.622 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 p -91.53 4.18 53.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 40' ' ' ILE . 5.4 m-85 -126.47 138.45 53.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.751 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 t -72.85 159.27 34.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.501 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.69 -39.8 89.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.3 m -62.53 -50.4 71.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -67.18 -45.17 77.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.446 ' HD1' HD11 ' A' ' 40' ' ' ILE . 70.8 t90 -62.66 -37.75 87.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 0.0 110.623 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 m -57.04 -14.45 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 73' ' ' VAL . 97.1 mttt -85.79 -11.39 53.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.7 p -65.27 -13.18 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.488 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -142.8 152.93 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -122.94 166.6 14.8 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.2 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.66 134.01 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.567 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 52.73 25.4 3.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.86 25.07 65.42 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.468 HH11 ' HD3' ' A' ' 69' ' ' ARG . 35.1 mtp-105 -132.07 152.92 50.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -81.9 125.13 30.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -131.25 132.84 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -68.38 141.16 55.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 75' ' ' ASP . 73.8 t -68.58 142.58 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.0 m -58.89 -43.66 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.501 ' H ' HG12 ' A' ' 73' ' ' VAL . 41.5 t0 -145.82 86.63 7.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.378 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.91 116.13 2.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.557 2.171 . . . . 0.0 111.974 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.34 95.35 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.439 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.21 162.83 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.69 144.82 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 p -89.02 163.34 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.01 -52.02 67.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.733 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 82' ' ' THR . 4.6 p -49.25 -38.73 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.12 179.489 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.645 0.26 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.3 mt -126.29 131.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.205 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -80.62 126.81 31.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.4 t -104.22 135.75 45.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -98.56 -5.62 31.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.72 -20.76 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 74.7 m -113.01 -34.74 5.64 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 8.6 tt0 81.79 30.43 0.13 Allowed 'General case' 0 N--CA 1.461 0.097 0 O-C-N 123.444 0.465 . . . . 0.0 110.729 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -142.44 157.78 44.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.2 m -81.15 119.12 23.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -111.7 139.56 47.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.02 163.55 24.97 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.433 ' CG1' ' NH2' ' A' ' 110' ' ' ARG . 17.5 tt -74.68 -29.37 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.95 -42.2 97.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.785 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 15.5 pt-20 -82.62 16.8 2.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.94 137.6 53.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.426 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.5 p -84.23 171.97 12.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.506 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -72.31 -38.0 68.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.605 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.13 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.521 ' NE2' HG11 ' A' ' 121' ' ' VAL . 67.6 mt-30 -69.67 -9.18 53.25 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.227 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.433 ' NH2' ' CG1' ' A' ' 102' ' ' ILE . 39.3 ttm180 -89.65 -36.76 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.83 0.348 . . . . 0.0 110.585 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -71.16 -43.79 66.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -47.8 144.73 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.67 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.9 tp -65.16 -23.04 67.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -119.6 85.2 32.08 Favored Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.43 139.2 74.54 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -134.48 113.62 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.678 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.5 m -52.02 152.51 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.4 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.517 ' OE1' ' NE2' ' A' ' 109' ' ' GLN . 29.4 mm100 -48.3 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.821 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -89.39 -61.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 1.4 p -59.84 -37.6 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.958 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.632 HG13 ' N ' ' A' ' 122' ' ' HIS . 10.6 p -71.9 -48.68 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.632 ' N ' HG13 ' A' ' 121' ' ' VAL . 55.2 t-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.62 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.576 ' SD ' ' N ' ' A' ' 31' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.15 36.63 0.09 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.26 -45.36 93.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.528 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' H ' ' H ' ' A' ' 35' ' ' ASP . 51.1 p30 -164.35 -0.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 18.9 p-10 -86.97 2.09 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.56 6.03 42.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -90.58 11.39 22.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.43 138.51 58.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.446 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 48' ' ' VAL . 5.8 mt -123.06 117.51 25.61 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.7 mm -96.41 128.6 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.72 133.97 38.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.71 135.27 34.02 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -88.51 -6.81 57.36 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 110.601 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.34 -60.85 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.8 p -107.5 20.2 19.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 40.84 36.88 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.027 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -108.08 134.38 51.04 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.294 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 39' ' ' LEU . 1.9 t -101.6 128.93 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.026 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -145.21 170.6 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.69 -175.0 36.88 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -54.25 -6.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -74.15 -55.29 6.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 9.38 17.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.497 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -123.2 127.55 48.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.435 ' CA ' ' HE ' ' A' ' 81' ' ' ARG . 31.1 t -59.73 148.78 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.64 -40.14 86.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.5 p -64.12 -46.7 83.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.658 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.418 HE22 HG13 ' A' ' 79' ' ' ILE . 86.8 mt-30 -67.75 -42.19 82.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.401 . . . . 0.0 110.736 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 62' ' ' THR . 74.2 t90 -62.46 -36.92 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -61.16 -30.7 70.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.48 ' O ' HG21 ' A' ' 73' ' ' VAL . 99.2 mttt -65.03 -7.56 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' TRP . 77.6 p -70.38 -18.48 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -144.5 153.43 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 71' ' ' VAL . 25.7 p -128.0 172.39 10.97 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.77 122.29 45.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.336 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ARG . 56.4 t -130.85 134.34 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.618 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 46.45 26.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.61 27.44 63.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' VAL . 61.3 ttt85 -133.2 133.68 43.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.905 0.383 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.6 m -64.42 131.39 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' THR . 11.0 m -138.22 141.22 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.657 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -82.13 132.78 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 61' ' ' LYS . 87.0 t -62.2 140.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.535 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -63.03 -42.23 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.469 ' H ' HG12 ' A' ' 73' ' ' VAL . 19.3 p-10 -149.25 83.54 6.54 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.562 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.53 118.69 3.58 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.725 2.283 . . . . 0.0 111.802 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -98.83 114.04 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 m -143.69 166.17 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.349 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HE22 ' A' ' 58' ' ' GLN . 10.0 pt -126.53 170.4 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.761 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 m -75.46 163.99 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.721 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HE ' ' CA ' ' A' ' 55' ' ' SER . 99.8 mtt180 -63.86 -35.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.425 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 ' H ' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -84.51 -25.67 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m -67.42 -32.22 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.03 148.44 78.56 Favored Pre-proline 0 N--CA 1.453 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.09 153.75 74.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.608 2.206 . . . . 0.0 112.066 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -155.68 101.71 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -143.15 150.59 39.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.487 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -149.13 140.53 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.11 147.36 48.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.6 p -146.61 167.7 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 132.52 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -79.0 127.48 32.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 15.1 t -104.26 136.37 43.99 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.212 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -4.05 29.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 93' ' ' CYS . . . -74.39 -39.06 62.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.747 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.41 -5.03 7.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 60.04 45.41 12.04 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.435 0.46 . . . . 0.0 111.001 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -75.99 133.02 40.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -138.09 148.8 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.42 172.68 54.53 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 pt -79.82 -11.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -66.61 -45.2 79.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.98 14.55 17.33 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.94 124.4 44.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.939 0.399 . . . . 0.0 110.394 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.5 t -61.19 153.03 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -62.51 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.636 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.78 84.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.44 -24.25 67.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -80.74 -33.95 34.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -67.98 -45.76 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.332 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.49 160.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.514 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.3 mt -81.88 -11.15 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.741 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -133.37 77.82 64.89 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.077 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.83 142.96 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.762 2.308 . . . . 0.0 112.134 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' A' ' 124' ' ' GLN . 97.0 mtt180 -132.05 128.17 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.6 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.2 m -48.47 145.68 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.36 -19.87 39.09 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.8 mp -90.23 -36.52 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.97 -37.3 85.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.065 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 122' ' ' HIS . 29.9 m -64.19 -38.32 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.665 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 86.5 t60 -81.55 3.24 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -110.29 -29.73 8.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.59 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.506 ' OE1' ' NH1' ' A' ' 116' ' ' ARG . 43.3 tt0 -95.99 2.98 53.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 110.339 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.4 ' O ' ' OXT' ' A' ' 126' ' ' ASN . 22.5 mmt85 58.34 3.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.566 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' A' ' 124' ' ' GLN . 64.5 t-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 ptp . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.44 -23.96 58.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -69.17 144.31 53.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.457 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 59.2 t-20 -76.65 143.65 39.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.512 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 65.0 m-20 -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.981 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -64.66 -41.56 96.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -99.19 15.8 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 178.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.575 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.5 mt -137.13 109.74 7.49 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.236 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.41 145.5 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.479 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.4 mtp -80.77 143.39 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' C ' ' H ' ' A' ' 44' ' ' ARG . 52.5 t -83.49 119.74 25.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 mtm -54.03 -4.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.059 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 42' ' ' CYS . 9.8 mpt_? -112.84 -85.23 0.58 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.949 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.4 p -79.14 0.61 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 44.47 45.54 7.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.292 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -101.75 100.66 11.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.04 124.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.519 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -142.05 148.33 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.377 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.16 -179.79 28.67 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.4 -15.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.278 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.95 -49.67 23.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 110.786 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.59 6.0 45.56 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' C ' HH21 ' A' ' 81' ' ' ARG . 1.9 m-85 -127.79 139.71 52.49 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.303 0.573 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -64.74 150.82 46.62 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.836 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -62.0 -35.93 80.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.533 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -62.22 -48.71 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 52.1 mt-30 -67.65 -42.06 82.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -60.73 -38.23 84.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' PHE . 8.1 t -60.45 -20.58 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -79.04 -17.35 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.942 0.401 . . . . 0.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.7 p -70.7 -19.12 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.642 ' HA ' HG23 ' A' ' 73' ' ' VAL . 36.5 p90 -147.95 157.77 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.421 HG23 ' CG2' ' A' ' 73' ' ' VAL . 68.8 p -131.27 171.77 12.94 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.265 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -113.45 113.76 25.62 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.006 0.432 . . . . 0.0 109.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.8 m -133.79 148.3 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.637 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 53.21 18.78 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.455 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.02 25.4 69.18 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -136.46 143.12 43.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 0.0 110.623 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -68.27 126.62 30.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.237 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.97 133.87 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.004 0.431 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 p -77.36 149.79 35.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.293 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.763 HG12 ' H ' ' A' ' 75' ' ' ASP . 57.4 t -93.09 117.46 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -65.89 6.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.763 ' H ' HG12 ' A' ' 73' ' ' VAL . 32.6 t70 -141.87 67.78 23.24 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.507 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.11 85.24 1.71 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.698 2.266 . . . . 0.0 111.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -101.05 98.99 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.153 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.7 159.68 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 84.2 mt -105.02 155.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.652 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.463 ' N ' HG22 ' A' ' 79' ' ' ILE . 14.2 p -86.28 164.22 17.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.932 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.465 HH21 ' C ' ' A' ' 54' ' ' TYR . 99.5 mtt180 -66.47 -23.47 66.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -72.79 -44.5 61.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 72.1 m -84.22 -12.45 54.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 1.8 mm-40 -51.71 -62.38 3.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.099 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 27.4 Cg_endo -59.89 108.07 0.45 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.255 1.97 . . . . 0.0 111.959 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -135.75 76.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -138.22 143.17 40.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.395 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -149.21 85.68 1.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.286 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -65.39 127.64 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.147 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 p -137.27 158.01 45.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -124.63 133.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.377 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 93' ' ' CYS . 8.5 t-105 -81.98 138.18 34.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.405 ' N ' ' CD1' ' A' ' 92' ' ' TRP . 13.8 t -113.96 133.3 55.56 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.5 p -89.9 -21.53 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.406 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.49 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.669 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.64 -22.88 14.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 69.05 35.24 2.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.06 162.06 39.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.5 m -78.93 139.19 38.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.364 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -134.26 140.46 46.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.398 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.35 157.97 31.96 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.8 tt -71.79 -31.49 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.38 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.64 -41.28 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -85.12 22.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.701 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -127.19 144.97 50.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.477 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -78.06 154.71 31.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.422 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -74.84 -40.56 60.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.038 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.69 80.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.769 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.898 ' O ' HG22 ' A' ' 112' ' ' VAL . 2.5 mp0 -58.81 -53.31 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.443 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -40.23 -23.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 110.773 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' GLN . 53.6 t-80 -67.49 -41.23 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 109' ' ' GLN . 17.7 m -66.76 164.55 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.1 mt -85.98 -7.45 58.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.8 p-10 -135.39 74.88 59.72 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.077 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.49 137.22 72.29 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.594 2.196 . . . . 0.0 111.964 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.476 ' NH1' ' O ' ' A' ' 125' ' ' ARG . 54.3 mtm180 -124.36 133.6 53.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.574 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -61.49 151.91 31.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -55.99 -9.66 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' C ' ' A' ' 117' ' ' CYS . 5.4 mm -88.19 -39.62 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.983 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -75.25 -28.88 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.547 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -72.17 -40.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.943 0.402 . . . . 0.0 110.856 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 121' ' ' VAL . 44.0 t-80 -82.47 -1.84 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.651 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 t -87.02 -70.59 0.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 126' ' ' ASN . 78.9 mt-30 -140.19 37.74 1.92 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.476 ' O ' ' NH1' ' A' ' 116' ' ' ARG . 84.8 mtp180 44.57 -96.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.708 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' GLN . 98.7 m-20 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.522 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.16 23.81 67.73 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -127.1 144.08 51.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.661 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.69 161.89 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -61.84 -41.17 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 38' ' ' ALA . 95.6 m-20 -64.59 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -64.4 5.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -61.67 145.96 50.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.114 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 49' ' ' LYS . 43.8 mt -114.84 128.06 56.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.193 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 40' ' ' ILE . 2.9 mp -107.59 127.65 63.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.499 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.4 ttt -87.52 132.02 34.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 t -81.84 123.99 29.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 ptm -69.07 1.43 3.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.811 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -111.35 -87.91 0.53 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.31 14.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' ARG . 35.9 mmt180 39.39 35.24 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.48 124.27 36.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -99.61 130.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.5 mmtt -161.63 171.79 17.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.992 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.99 -171.41 40.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 tt -52.04 -6.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.604 0.24 . . . . 0.0 111.367 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 50' ' ' GLY . 47.6 t0 -70.94 -48.71 51.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.775 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 p -89.05 4.09 49.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -123.76 135.15 53.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.904 0.383 . . . . 0.0 110.732 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -69.46 159.35 33.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.23 -42.12 94.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.173 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -50.2 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.582 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 27.7 mt-30 -64.51 -42.51 95.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.58 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -60.49 -22.47 63.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' HG21 ' A' ' 73' ' ' VAL . 98.5 mttt -77.73 -10.08 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.498 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -70.77 -17.0 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.811 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -144.29 155.41 43.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -120.06 170.69 9.06 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.67 121.17 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.07 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 63.7 t -126.66 127.32 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.888 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 41.5 35.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.69 29.43 63.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 66' ' ' VAL . 39.6 ttm180 -128.22 129.52 46.56 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 110.347 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -69.33 127.55 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 64' ' ' THR . 5.2 m -132.29 132.54 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.4 t -76.13 140.59 41.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 61' ' ' LYS . 67.8 t -70.0 141.65 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.331 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.9 p -69.8 -38.49 76.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 73' ' ' VAL . 52.4 t0 -144.6 80.47 11.71 Favored Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.78 117.87 3.7 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.523 2.149 . . . . 0.0 112.231 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -107.99 107.95 18.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -144.98 157.48 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.027 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 94.8 mt -99.47 154.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.497 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 13.8 p -82.57 170.06 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 110.943 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.66 -36.18 78.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.484 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.497 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 36.4 p -65.63 -35.09 79.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.191 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.1 m -73.89 -5.01 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.432 ' C ' ' H ' ' A' ' 86' ' ' LYS . 81.2 mt-30 -116.68 76.01 7.34 Favored Pre-proline 0 N--CA 1.468 0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.497 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.49 26.99 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.411 2.074 . . . . 0.0 112.073 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 84' ' ' GLN . 87.6 tttt -60.65 -38.72 85.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.327 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -80.33 132.36 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -86.27 12.96 8.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 90' ' ' SER . 38.7 p30 -63.48 -26.18 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.534 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 30.3 p -140.89 156.72 46.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.424 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.9 mt -130.92 136.64 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.414 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -75.8 123.78 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.579 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.9 t -99.91 131.78 45.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.91 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.6 p -92.28 -11.01 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.155 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.84 -25.69 27.9 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 97.1 m -104.88 -37.92 6.83 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.647 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 81.88 35.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.622 -178.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -150.61 165.85 32.08 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 m -75.14 140.31 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.232 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -136.34 140.76 43.54 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.72 167.51 29.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.423 HD11 ' NH2' ' A' ' 110' ' ' ARG . 10.4 tp -78.84 -27.3 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.689 0.28 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 33.4 p-10 -61.2 -43.64 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.171 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 97.0 mt-10 -81.28 20.11 0.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 0.0 110.394 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.501 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.4 m-85 -134.67 148.45 50.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -93.56 173.42 7.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.315 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -76.61 -33.48 58.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.994 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.197 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 116' ' ' ARG . 5.1 mp0 -57.36 -21.97 39.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 110.197 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.423 ' NH2' HD11 ' A' ' 102' ' ' ILE . 97.7 mtt180 -72.79 -37.31 67.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.19 -44.52 91.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.31 149.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.1 mt -76.62 -11.5 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.715 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 20.7 p-10 -129.76 80.25 71.86 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.1 144.39 99.39 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.654 2.236 . . . . 0.0 111.84 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 42.2 mtm-85 -139.59 123.25 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.414 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.501 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 4.0 m -41.61 154.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.91 -21.15 42.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mm -88.86 -20.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.62 -35.0 30.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.199 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 34.5 m -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 110.583 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 34.9 m80 -85.97 9.8 15.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -93.77 -55.73 3.14 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.546 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 126' ' ' ASN . 18.6 pt20 -141.84 22.67 2.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 48.61 -94.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' GLN . 28.2 p30 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.602 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.51 -69.84 0.19 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -81.0 -13.06 59.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.887 0.375 . . . . 0.0 110.637 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -150.63 81.2 1.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.68 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.13 -1.66 57.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -89.65 13.98 12.8 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' HD22 ' A' ' 39' ' ' LEU . . . -64.14 144.94 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 49' ' ' LYS . 4.4 mm? -112.57 125.38 54.2 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 HG21 ' A' ' 62' ' ' THR . 7.9 mm -93.49 126.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.571 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.9 ttt -81.91 131.04 35.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.427 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.56 127.17 33.91 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.517 0.675 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.513 ' O ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.8 -0.75 5.8 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.543 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -118.67 -76.64 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.602 0.239 . . . . 0.0 111.503 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.4 p -82.32 0.1 43.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 38.67 41.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HE2' ' HZ1' ' A' ' 49' ' ' LYS . 72.9 tttt -99.09 86.6 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.474 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.6 m -46.24 129.91 2.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 39' ' ' LEU . 11.8 mmtp -144.76 147.93 33.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.568 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.52 175.6 52.35 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 tt -52.88 -15.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.54 -45.51 65.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 111.205 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.41 4.3 54.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.452 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -121.65 133.34 54.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 147.62 34.98 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.43 -40.66 95.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.598 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -62.12 -47.32 85.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.66 -40.73 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -62.47 -37.06 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -62.92 -21.22 65.88 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.47 -10.83 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.426 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.515 HG21 HD12 ' A' ' 40' ' ' ILE . 50.9 p -75.55 -15.28 60.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.971 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HA ' HG23 ' A' ' 73' ' ' VAL . 44.6 p90 -148.38 159.25 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.4 p -128.75 172.66 11.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.62 116.68 32.37 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.66 132.3 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.064 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 45.1 33.73 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.282 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.52 73.29 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -132.14 133.04 43.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.865 0.364 . . . . 0.0 110.535 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.0 m -67.17 128.93 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' THR . 3.7 m -128.68 127.86 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.452 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 p -73.18 151.66 41.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 75' ' ' ASP . 58.7 t -99.42 117.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -71.89 19.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.752 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 73' ' ' VAL . 22.0 t70 -150.13 63.97 6.51 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.29 80.62 3.03 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.45 2.1 . . . . 0.0 111.625 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -101.94 95.1 6.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 109.806 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.29 163.87 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.009 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.78 123.62 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.1 p -65.1 169.93 4.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.81 -37.68 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 m -60.93 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.005 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.2 -10.24 59.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -78.26 131.15 69.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.625 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -72.3 160.67 46.47 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.887 1.725 . . . . 0.0 112.097 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -44.42 142.4 1.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.622 ' H ' ' CD ' ' A' ' 87' ' ' GLN . 1.5 pm0 -43.74 135.11 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -66.22 -38.33 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -153.43 177.91 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t -136.47 157.65 46.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.471 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.87 130.78 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -86.29 130.01 34.66 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.98 143.36 30.28 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.371 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 p -101.79 -12.49 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.979 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.19 -11.62 29.99 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -127.09 -5.83 6.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.161 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 50.06 26.25 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.033 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -132.13 142.67 49.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 40.4 m -91.74 129.67 37.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -127.97 159.99 33.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.67 170.99 45.25 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 102' ' ' ILE . 17.1 pt -73.46 -20.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.313 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.51 -41.51 98.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -90.7 18.53 6.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -129.56 147.26 51.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 t -75.81 152.8 37.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.431 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.93 -42.7 94.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.77 88.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 116' ' ' ARG . 88.3 mm-40 -62.17 -30.35 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -79.81 -21.89 43.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.593 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 14.6 t-80 -91.17 17.76 7.77 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 m -134.46 160.42 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.1 OUTLIER -89.0 36.15 0.81 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -163.33 59.39 0.82 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -67.4 138.75 47.29 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.194 1.929 . . . . 0.0 112.465 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.509 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mtt-85 -136.11 115.32 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.108 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -42.87 150.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.792 0.33 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -53.93 -9.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.79 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 117' ' ' CYS . 94.0 mt -88.89 -49.9 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.667 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.7 OUTLIER -63.71 -27.41 69.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.495 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 122' ' ' HIS . 13.6 m -71.1 -43.55 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.099 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 121' ' ' VAL . 68.7 m80 -80.64 -3.11 49.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.901 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -106.84 -65.49 1.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.2 28.14 1.99 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 54.59 -169.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.562 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtp . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.02 37.28 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.86 135.28 54.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 135.95 33.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -86.93 -4.9 59.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' C ' ' H ' ' A' ' 38' ' ' ALA . 97.2 m-20 -89.94 8.84 30.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.29 19.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -62.65 143.25 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.67 111.38 15.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.09 133.12 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.421 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 ptm -82.58 135.8 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.26 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -82.05 118.42 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.738 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -64.52 -2.29 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.44 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -85.79 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 47' ' ' LYS . 28.2 p -109.69 4.76 22.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' CYS . 99.7 mtt180 55.5 41.31 30.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.409 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CD ' ' SG ' ' A' ' 45' ' ' CYS . 6.7 mtpm? -97.87 130.45 44.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.073 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -91.78 121.21 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.653 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -150.65 165.31 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.201 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -100.68 -168.77 28.69 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.28 -4.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.306 . . . . 0.0 111.619 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 50' ' ' GLY . 95.9 m-20 -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.627 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.72 5.74 20.34 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.509 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.94 125.94 48.71 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.918 0.39 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -63.24 155.09 29.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.989 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.0 p -60.71 -47.6 85.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -68.61 -51.58 40.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 62' ' ' THR . 76.2 t90 -55.65 -34.23 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 m -61.32 -34.87 75.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.198 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -7.38 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.456 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' TRP . 80.8 p -68.93 -19.97 64.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -139.37 148.77 43.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.12 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 71' ' ' VAL . 16.0 p -124.06 165.53 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.72 123.07 44.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.009 0.433 . . . . 0.0 110.335 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.48 135.43 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.226 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 52.7 23.8 2.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.957 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.29 17.55 66.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -130.51 150.49 51.69 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.687 0.28 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' THR . 13.4 t -80.92 131.9 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.513 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 64' ' ' THR . 3.2 m -129.94 128.48 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.906 0.384 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.6 p -63.95 128.83 37.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.073 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.57 134.68 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.149 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -60.2 -41.91 93.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.0 80.93 8.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.752 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.12 144.81 23.97 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.169 1.913 . . . . 0.0 112.002 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -116.74 115.73 26.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.95 165.28 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.44 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 80' ' ' CYS . 76.4 mt -124.98 163.9 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.397 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.554 ' N ' HG22 ' A' ' 79' ' ' ILE . 4.0 m -76.52 158.57 31.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.35 -37.7 88.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.249 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -74.35 -37.77 63.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.217 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.32 -30.08 66.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.971 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -45.16 150.42 0.79 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -42.98 161.35 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 112.296 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -63.11 136.66 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -146.28 -22.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.454 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -105.21 105.59 15.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' ILE . 40.2 p-10 -88.98 -0.21 57.21 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 p -133.1 149.86 52.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.4 mt -132.12 135.91 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -84.53 124.65 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 t -101.55 137.11 40.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 p -97.29 -12.06 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.37 24.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.81 -30.3 12.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 77.4 26.57 0.69 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -139.92 157.2 46.07 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.4 m -81.14 126.8 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -118.28 136.53 53.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.167 0.508 . . . . 0.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.05 168.73 23.87 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 89' ' ' ASP . 20.5 tt -67.98 -32.48 56.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 111.006 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.88 -41.17 99.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -79.82 10.39 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.08 140.1 52.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.527 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 26.9 m -80.84 165.58 21.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -75.19 -43.57 51.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.885 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.14 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 112' ' ' VAL . 39.1 mm-40 -69.63 -61.14 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.795 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -56.56 -5.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 56.2 t-80 -94.53 18.54 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.801 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 109' ' ' GLN . 3.3 m -130.58 164.36 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.345 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.7 -41.33 99.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.24 95.8 40.28 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.409 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -75.91 138.06 20.48 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.63 1.554 . . . . 0.0 112.351 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -126.73 128.82 47.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.758 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -56.39 149.23 17.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.527 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 5.6 mp0 -53.22 -10.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 117' ' ' CYS . 20.6 mm -88.14 -48.01 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -65.86 -31.43 72.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.947 -179.143 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.0 m -68.38 -40.66 82.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.053 0.454 . . . . 0.0 110.65 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.491 ' N ' HG23 ' A' ' 121' ' ' VAL . 22.1 t-80 -45.52 -52.98 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.193 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 p -91.12 -51.68 5.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -90.78 40.44 1.02 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.708 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' VAL . 52.9 ptt85 -42.15 141.28 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.672 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.6 p30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.526 ' SD ' ' N ' ' A' ' 31' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.07 12.43 76.68 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -133.8 120.71 20.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.863 0.364 . . . . 0.0 110.559 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 54.61 31.2 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.07 -48.53 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' ALA . 85.8 m-20 -65.06 -37.15 86.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -69.36 8.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -72.08 154.38 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.298 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 49' ' ' LYS . 57.7 mt -119.09 127.2 53.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.64 131.05 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.451 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.5 ttt -81.21 130.1 34.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.454 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 44' ' ' ARG . 49.0 t -81.29 118.64 22.79 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 121.365 0.602 . . . . 0.0 110.716 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -62.6 -0.46 0.62 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.691 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 42' ' ' CYS . 12.2 tpt180 -109.62 -84.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.623 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.1 p -79.8 -3.3 47.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.837 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 52.77 42.13 31.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -102.42 93.69 5.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.478 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -57.39 120.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.224 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.477 ' CB ' ' OG ' ' A' ' 53' ' ' SER . 28.2 mmtp -139.72 164.22 30.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.4 -175.4 43.35 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -56.18 -5.85 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.093 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 26.6 p-10 -74.42 -50.5 18.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.88 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -91.3 1.69 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.83 129.44 55.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' HH21 ' A' ' 81' ' ' ARG . 41.7 t -59.7 152.65 22.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.192 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -57.59 -38.52 75.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -50.04 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 87.4 mt-30 -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.566 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 90.4 t90 -63.81 -39.37 94.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.2 p -70.82 -28.58 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -64.96 -28.39 69.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.538 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 70.1 p -66.62 -7.49 20.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.167 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.538 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 71.7 m-85 -119.59 141.89 48.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.983 0.42 . . . . 0.0 110.008 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -118.01 158.31 25.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.269 0.556 . . . . 0.0 110.002 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.08 135.54 43.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.516 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.0 p -139.83 133.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.619 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 42.88 26.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.46 28.67 38.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.8 mtt180 -131.04 149.38 52.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.7 m -86.15 123.08 31.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.38 135.75 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -66.31 145.07 56.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG22 HG23 ' A' ' 64' ' ' THR . 55.7 t -71.79 143.32 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.566 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.5 m -70.41 -44.68 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -138.78 80.8 24.27 Favored Pre-proline 0 N--CA 1.463 0.224 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.182 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.84 139.7 14.05 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.588 2.192 . . . . 0.0 112.434 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.1 110.57 11.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.328 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.18 164.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 60.8 mt -107.79 141.84 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -78.53 167.46 21.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.484 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.401 HH21 ' HA ' ' A' ' 55' ' ' SER . 93.4 mtt-85 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -71.87 -42.47 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.02 -13.49 47.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.014 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.453 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 2.0 mm100 -48.05 -61.98 2.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.151 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 33.0 Cg_endo -62.52 115.77 3.1 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.376 2.051 . . . . 0.0 111.826 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -154.33 -70.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.29 -74.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.438 ' O ' ' CG ' ' A' ' 88' ' ' HIS . 18.1 p-80 -174.25 73.42 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -84.71 134.77 34.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 p -141.45 164.35 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.224 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.8 mt -127.66 133.0 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -78.84 130.25 35.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.51 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.9 t -108.68 133.84 52.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.941 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -95.19 -13.17 25.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.89 -26.7 36.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.39 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -109.43 -29.67 8.32 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 75.09 31.86 0.81 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.423 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -143.39 159.51 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -77.76 134.81 37.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.449 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 8.7 tptp -132.66 141.77 48.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.56 160.63 23.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.6 tt -73.11 -33.54 42.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.87 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -58.84 -41.47 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.471 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 97.5 mt-10 -79.59 16.97 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -124.3 144.24 50.1 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.577 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.1 t -88.47 165.59 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.334 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.02 -45.59 77.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.23 90.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -59.48 -26.69 65.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.33 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -82.75 -30.08 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -66.25 -44.17 84.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.52 160.06 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 113' ' ' LEU . 9.4 mp -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.16 79.33 74.58 Favored Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.16 134.84 66.04 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.722 2.281 . . . . 0.0 112.431 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.466 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 45.3 mtt-85 -132.95 136.92 46.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.518 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.668 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -68.0 151.44 47.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -54.29 -9.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.554 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -88.44 -49.04 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.406 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.668 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -64.51 -28.74 69.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.809 -178.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.78 -30.61 12.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 82.5 t60 -72.42 -4.12 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.419 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.8 t -83.76 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' ARG . 93.5 mt-30 -141.03 39.39 1.78 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 124' ' ' GLN . 16.6 ptm180 36.71 -155.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.74 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.382 179.201 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mmm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.93 126.53 7.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -84.19 -77.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.634 0.254 . . . . 0.0 110.604 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -130.69 -139.86 0.22 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.31 5.3 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -63.73 -13.84 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -79.6 0.13 31.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 139.32 55.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -116.57 125.45 51.88 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.05 130.09 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -86.87 144.92 26.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 44' ' ' ARG . 36.3 t -80.45 121.31 25.57 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.928 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.4 ' HG2' ' H ' ' A' ' 43' ' ' MET . 16.0 ptm -62.83 0.67 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.762 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 26.4 ttp180 -118.21 -72.47 0.69 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.06 -18.74 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.255 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 56.97 34.16 24.46 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -104.81 132.21 51.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.329 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.44 123.51 43.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -144.52 163.93 32.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.439 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -88.12 179.3 46.79 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.42 -4.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 50' ' ' GLY . 21.1 p-10 -74.47 -47.02 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.83 5.46 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.608 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -124.61 135.52 53.17 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.3 p -66.92 156.88 34.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.391 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -62.71 -41.56 99.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.3 m -62.72 -48.3 79.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.43 -42.19 88.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.529 ' O ' HG23 ' A' ' 62' ' ' THR . 80.2 t90 -68.01 -36.14 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.1 m -62.48 -31.44 72.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.97 -3.33 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' TRP . 64.3 p -74.06 -17.72 60.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.767 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.52 154.34 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -129.44 170.17 14.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.385 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.92 121.64 44.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.458 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ARG . 53.1 t -129.83 134.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.562 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 46.79 27.9 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.6 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.9 26.72 64.02 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' VAL . 78.9 ttt-85 -132.49 133.47 43.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 127.81 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.09 133.47 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.394 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.76 137.05 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.449 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.8 t -65.88 -42.06 90.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.06 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -139.71 82.33 18.23 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -81.42 117.83 3.15 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.645 2.23 . . . . 0.0 111.712 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -104.88 113.85 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.974 0.416 . . . . 0.0 110.389 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.2 m -150.15 158.27 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.392 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.467 HG22 ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -115.44 140.96 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.372 -179.46 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.3 p -54.52 168.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.72 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.38 -36.06 82.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -61.43 -22.4 64.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.545 ' SG ' ' CZ ' ' A' ' 44' ' ' ARG . 1.3 m -81.33 -1.58 45.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 12.4 mt-30 -37.41 -61.01 0.77 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.521 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 30.2 Cg_endo -62.53 97.49 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.51 2.14 . . . . 0.0 111.572 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -139.09 113.04 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 38.42 79.67 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' A' ' 90' ' ' SER . 16.4 m170 -91.61 178.29 5.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.118 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.438 ' C ' HG23 ' A' ' 102' ' ' ILE . 20.0 t0 63.96 -1.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.539 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 88' ' ' HIS . 14.7 t -130.94 143.84 51.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.471 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.34 133.45 66.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.234 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -82.34 113.91 20.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.145 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.67 132.62 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -90.23 -18.41 25.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.3 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.96 -27.0 15.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.49 30.76 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -141.84 160.81 39.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -75.89 133.73 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -136.24 141.93 43.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.656 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.67 28.61 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.438 HG23 ' C ' ' A' ' 89' ' ' ASP . 25.0 pt -80.76 -23.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 14.9 p30 -57.49 -42.38 82.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 89.1 mt-10 -86.19 28.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.49 143.9 50.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.175 0.512 . . . . 0.0 110.575 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.3 m -81.65 174.44 11.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.433 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.64 -36.38 82.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 112' ' ' VAL . . . -84.32 -46.69 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 35.8 mt-30 -48.82 -29.42 4.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.609 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -93.36 -10.89 33.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.509 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 111' ' ' HIS . 52.3 t-80 -125.38 18.28 8.23 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.542 HG22 ' N ' ' A' ' 113' ' ' LEU . 14.9 p -97.5 162.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' VAL . 14.0 mt -62.9 -39.14 93.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' H ' HG22 ' A' ' 112' ' ' VAL . 25.0 m-20 -123.57 80.75 54.44 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.193 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.75 130.35 36.76 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.123 2.549 . . . . 0.0 112.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 7.7 mtp180 -144.09 117.92 9.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.325 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -42.74 156.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.684 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.437 ' N ' HE22 ' A' ' 109' ' ' GLN . 87.1 mt-30 -62.49 -9.99 10.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.664 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.29 -27.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.637 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -83.67 -26.85 29.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.328 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 m -79.54 -26.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -86.88 2.94 47.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.9 m -96.27 -38.22 10.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.592 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 126' ' ' ASN . 36.8 tt0 -142.52 39.35 1.54 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 110.361 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 52.99 -91.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 124' ' ' GLN . 89.1 m-20 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 34' ' ' ASN . . . 71.59 -117.04 6.39 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 71.36 -43.49 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 32' ' ' GLY . 41.3 t-20 -95.73 104.76 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.35 -35.42 80.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.06 -41.72 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.505 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -98.47 34.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.17 179.76 7.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 49' ' ' LYS . 58.8 mt -137.43 95.76 3.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.996 0.427 . . . . 0.0 110.732 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.03 138.49 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.1 ttt -77.03 140.61 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.21 138.66 33.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' MET . 5.5 ptt? -79.69 -3.02 45.5 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.36 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 46' ' ' ARG . 58.1 mtp180 -115.6 -88.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 19.7 p -66.32 6.63 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 44' ' ' ARG . 86.5 mtm-85 36.74 46.86 0.5 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.017 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 25.9 ttmt -115.17 123.69 49.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.439 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.97 131.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' NZ ' ' CD ' ' A' ' 47' ' ' LYS . 33.5 mttp -146.01 154.03 41.42 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -108.83 -177.12 21.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -52.93 -6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 50' ' ' GLY . 50.1 t0 -72.94 -56.29 5.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.93 0.395 . . . . 0.0 110.666 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -91.23 16.96 8.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.335 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.25 139.1 50.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 p -66.45 155.66 36.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.326 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.51 -39.35 94.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -63.49 -47.66 80.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.56 -39.45 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -62.2 -39.99 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' PHE . 37.7 m -59.38 -29.8 67.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.648 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' HG21 ' A' ' 73' ' ' VAL . 62.1 mttm -70.52 -12.15 61.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -75.55 -19.07 59.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 32.3 p90 -148.56 156.68 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 110.243 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 73' ' ' VAL . 22.2 p -130.4 168.92 16.19 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.97 123.95 47.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -134.43 136.68 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 51.23 22.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.2 25.06 64.66 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.57 133.76 38.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.509 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -60.9 128.84 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.205 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' THR . 16.3 m -136.81 153.0 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 t -86.34 137.52 32.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.684 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 64' ' ' THR . 20.2 t -60.83 154.08 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.5 m -61.41 -41.83 97.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.13 79.53 7.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.411 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -77.28 118.21 4.6 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.695 2.263 . . . . 0.0 111.906 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -125.02 125.79 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.16 148.1 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 79' ' ' ILE . 7.7 tt -94.27 127.41 46.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.6 p -64.7 161.6 17.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -67.17 -39.61 86.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.503 ' C ' ' H ' ' A' ' 84' ' ' GLN . 16.9 m -53.31 -40.09 64.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -70.33 16.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.503 ' H ' ' C ' ' A' ' 82' ' ' THR . 27.7 mt-30 -142.14 62.59 14.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.418 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.31 -78.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.661 2.241 . . . . 0.0 112.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -141.31 114.58 8.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -78.83 -15.34 58.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.439 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.27 129.51 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -135.12 129.35 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.4 p -138.39 162.54 34.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.491 HG12 HG22 ' A' ' 102' ' ' ILE . 5.1 mm -118.46 131.91 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.56 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TRP . 11.8 t90 -80.53 111.07 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -87.92 130.49 34.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.482 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -93.26 -9.12 40.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.17 -36.47 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.47 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 68.6 m -98.52 -26.8 14.31 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 71.25 35.16 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.355 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -146.23 161.31 40.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 79.1 m -79.59 138.78 37.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -142.41 146.92 35.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.75 165.91 36.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.491 HG22 HG12 ' A' ' 91' ' ' ILE . 32.9 pt -80.42 -16.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.824 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.18 -42.11 99.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.607 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -84.78 22.22 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.31 136.76 53.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.073 0.463 . . . . 0.0 110.685 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -75.64 167.2 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.364 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -63.27 -40.65 98.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.94 -41.65 82.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -57.11 -37.17 71.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.624 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -81.14 -11.04 59.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -96.63 -45.91 6.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.767 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.2 m -52.2 173.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 113' ' ' LEU . 10.3 mp -88.97 -11.58 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 12.4 p30 -133.75 77.99 62.21 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.313 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.75 147.42 92.26 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.894 2.396 . . . . 0.0 112.059 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -154.25 126.66 7.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.7 OUTLIER -47.35 147.95 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.44 -8.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.188 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -89.38 -28.18 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.034 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -82.01 -33.15 30.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.119 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.3 m -63.68 -37.22 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.45 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' N ' HG23 ' A' ' 121' ' ' VAL . 76.5 m-70 -88.54 10.21 21.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.2 p -126.56 -8.52 6.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.492 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 126' ' ' ASN . 3.1 tp-100 -142.44 18.15 2.04 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 126' ' ' ASN . 84.7 mtp180 42.41 -91.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 124' ' ' GLN . 89.2 m-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.527 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.22 -8.52 79.29 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -62.3 -40.91 97.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.807 -0.231 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -110.87 130.19 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.967 0.413 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 30.1 p-10 -78.26 -7.41 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -90.04 -2.28 58.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.615 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -90.75 12.09 20.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.38 176.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.42 117.56 14.43 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.5 mt -101.68 142.09 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.76 130.0 38.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 t -84.0 156.16 22.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.291 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -107.2 -9.14 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.366 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -101.47 -58.62 1.85 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 17.0 p -102.82 -3.91 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.764 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 56.1 31.98 19.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.494 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 17.7 ttmm -87.07 133.35 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.15 127.7 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -167.67 178.03 5.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.682 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.571 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.58 -167.51 35.19 Favored Glycine 0 CA--C 1.517 0.199 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -50.79 -4.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.826 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 50' ' ' GLY . 68.3 t0 -71.06 -53.69 13.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.11 6.74 43.75 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.76 139.9 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 p -67.82 160.12 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.49 -40.85 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.558 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -65.96 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -48.17 -42.83 30.7 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.39 0.614 . . . . 0.0 110.57 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -61.24 -38.42 86.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.408 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.9 m -79.02 -11.31 60.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.988 0.423 . . . . 0.0 111.074 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -78.49 -26.54 45.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.47 ' C ' HG23 ' A' ' 73' ' ' VAL . 65.6 p -75.41 10.89 1.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.15 149.99 50.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 0.0 110.395 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -134.89 158.46 44.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.252 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.09 122.5 44.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.486 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' ARG . 55.3 t -130.53 131.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 46.79 32.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.376 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.89 70.85 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' VAL . 79.5 ttt-85 -130.7 138.35 49.97 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.396 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.5 m -73.61 126.34 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.39 134.66 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m -70.08 149.23 47.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.47 HG23 ' C ' ' A' ' 62' ' ' THR . 92.7 t -82.6 128.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.1 p -66.87 -33.27 75.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -126.08 75.05 72.26 Favored Pre-proline 0 N--CA 1.466 0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HB2' HG22 ' A' ' 62' ' ' THR . 58.8 Cg_endo -80.06 111.15 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.644 2.229 . . . . 0.0 111.57 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -102.52 87.36 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.24 160.96 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.284 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 pt -117.32 167.72 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.769 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -78.04 166.65 22.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.874 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.11 -37.35 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -76.48 -27.23 56.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.777 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.21 -27.29 67.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.328 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -100.51 147.5 33.68 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.372 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 143.67 68.93 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.632 2.221 . . . . 0.0 112.178 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 88' ' ' HIS . 97.1 mttt -146.12 158.42 43.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.24 11.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 86' ' ' LYS . 95.2 m-70 54.73 77.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -94.2 0.86 56.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.411 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.6 m -134.93 148.51 50.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.486 HD11 HH11 ' A' ' 110' ' ' ARG . 96.1 mt -124.62 133.02 70.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -77.57 114.26 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.8 t -90.35 133.51 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.71 -10.27 34.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.656 0.265 . . . . 0.0 110.313 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.07 -26.57 22.47 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.612 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 90.5 m -100.42 -38.12 8.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.757 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 30.3 tt0 82.08 31.07 0.11 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.459 0.475 . . . . 0.0 110.283 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -151.45 167.66 27.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 m -76.01 137.27 40.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -135.64 140.58 44.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.65 164.97 25.16 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 tt -78.24 -24.03 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 110.809 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.14 -42.1 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.713 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -81.94 22.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.717 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.711 ' HA ' HE22 ' A' ' 118' ' ' GLN . 2.0 m-85 -130.84 142.79 50.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.908 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -93.29 179.25 5.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' N ' ' OG ' ' A' ' 106' ' ' SER . 63.9 mttp -74.58 -39.48 62.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.136 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.05 86.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.551 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 9.7 mp0 -59.9 -37.91 80.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.303 0.573 . . . . 0.0 110.462 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.486 HH11 HD11 ' A' ' 91' ' ' ILE . 77.8 mtp85 -71.21 -38.69 72.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.87 -43.88 90.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.88 150.78 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.5 -12.94 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.48 81.72 67.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.2 144.52 95.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.808 2.339 . . . . 0.0 111.786 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -146.54 125.71 12.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' CYS . 3.5 m -41.73 145.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.605 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.711 HE22 ' HA ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -48.15 -29.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.752 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -80.35 -22.71 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' CYS . 99.4 m -80.98 -42.59 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 121' ' ' VAL . 2.4 p -76.35 -34.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 7.6 m-70 -82.71 13.97 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.255 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.2 t -98.06 -55.72 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -132.72 32.21 3.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.5 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 55.51 176.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.351 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.523 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.6 ttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.78 149.04 4.9 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -65.35 -36.36 83.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.599 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -95.95 122.88 39.24 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -84.3 7.9 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' ALA . 46.2 t-20 -62.68 -40.18 96.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.387 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 66.3 t0 -70.65 38.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.544 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 39' ' ' LEU . . . -106.62 126.29 52.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.355 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 38' ' ' ALA . 10.8 mp -113.83 137.13 52.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.146 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.04 132.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.5 ttp -83.75 136.0 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.77 143.93 52.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.07 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ptp -80.76 -5.98 57.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -120.13 -48.41 2.33 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.907 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 m -84.28 -20.62 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.699 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 58.24 24.42 11.44 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -105.12 136.31 44.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.687 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.8 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.18 144.93 35.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.19 172.87 28.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -43.72 -24.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.312 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 53' ' ' SER . 35.5 p-10 -73.99 -43.78 56.87 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.958 0.408 . . . . 0.0 111.026 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.2 m -93.73 8.54 40.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 131.71 53.5 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -57.08 144.48 34.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.069 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.0 -40.19 94.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.651 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 58' ' ' GLN . 25.2 p -58.77 -51.32 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 57' ' ' THR . 16.4 mp0 -67.29 -41.07 86.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.267 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -58.29 -38.31 76.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.5 t -63.11 -22.19 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 73' ' ' VAL . 65.7 mttm -84.45 -21.15 30.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 0.0 110.595 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 p -66.95 -1.92 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.631 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -160.81 166.53 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.1 p -134.1 169.55 16.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.18 130.65 55.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.427 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 5.7 p -140.92 137.88 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 43.52 21.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 82.48 29.93 34.82 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 88.9 mtm180 -134.84 132.57 38.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.639 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -68.51 132.57 47.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.471 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 64' ' ' THR . 6.8 m -132.79 133.91 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.965 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m -77.28 141.28 40.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 74' ' ' SER . 24.5 t -70.08 156.02 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.416 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 73' ' ' VAL . 10.7 t -67.52 -43.99 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.842 0.354 . . . . 0.0 111.01 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -148.31 80.34 8.55 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.307 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 117.58 4.17 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.436 2.09 . . . . 0.0 112.01 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -107.13 107.16 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.072 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.2 158.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.18 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.79 153.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.4 p -82.36 -175.1 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.644 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -74.44 -34.49 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 82' ' ' THR . 10.3 p -56.6 -49.43 74.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 p -85.4 2.28 45.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -129.52 57.12 28.26 Favored Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.66 -21.54 39.01 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.625 2.217 . . . . 0.0 111.889 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -64.29 95.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -81.6 130.32 35.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.678 ' CD2' HH21 ' A' ' 110' ' ' ARG . 50.9 t-80 43.02 -115.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.541 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.586 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 44.9 t0 -172.71 176.11 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 p -58.35 173.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 105' ' ' PHE . 82.3 mt -130.03 134.16 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.663 ' CH2' HG22 ' A' ' 94' ' ' THR . 11.2 t90 -87.83 127.25 35.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.62 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.11 133.63 37.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' CH2' ' A' ' 92' ' ' TRP . 2.5 p -91.49 -9.65 43.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.508 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -93.89 -15.41 25.03 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.557 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.3 m -115.39 -20.08 10.44 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.56 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 60.46 29.07 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -134.79 152.65 51.93 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -81.53 130.89 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.517 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -127.13 139.69 52.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.03 165.55 5.46 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.52 -35.78 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.943 0.402 . . . . 0.0 110.79 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.34 -39.24 86.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.565 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.46 9.04 1.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.502 ' CB ' HD12 ' A' ' 91' ' ' ILE . 1.3 m-85 -129.09 148.85 51.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.683 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.3 t -88.6 171.2 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.338 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.76 -44.86 63.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.117 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 112' ' ' VAL . 81.5 mt-30 -56.95 -26.14 59.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.678 HH21 ' CD2' ' A' ' 88' ' ' HIS . 78.8 ttt-85 -87.02 -15.88 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 0.0 110.331 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -90.27 17.87 6.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 109' ' ' GLN . 14.8 m -126.2 159.43 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 110.101 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.534 ' N ' HD22 ' A' ' 113' ' ' LEU . 4.0 mm? -64.0 -39.21 93.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD2' HG21 ' A' ' 94' ' ' THR . 7.7 t70 -120.35 85.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.78 141.92 92.2 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.492 2.128 . . . . 0.0 111.798 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -130.58 119.55 22.68 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.5 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 31.9 p -46.37 144.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' CA ' HE22 ' A' ' 109' ' ' GLN . 10.5 pt20 -52.48 -11.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.825 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.419 ' N ' ' C ' ' A' ' 117' ' ' CYS . 39.1 mm -88.42 -39.41 12.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.488 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.634 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 3.7 m -69.17 -33.64 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 123' ' ' SER . 6.5 m -74.46 -40.25 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.715 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 14.9 t-80 -62.6 1.52 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 121' ' ' VAL . 37.5 m -126.27 -57.54 1.39 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 125' ' ' ARG . 99.5 mm-40 -97.05 30.07 2.88 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.732 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 124' ' ' GLN . 8.1 ptp180 30.98 -105.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.605 0.566 . . . . 0.0 111.015 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.072 179.151 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.32 105.66 1.89 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 35' ' ' ASP . 98.8 mttt -63.03 -33.74 76.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.825 0.345 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -68.66 40.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.127 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 33' ' ' LYS . 99.4 m-20 -76.32 -5.84 48.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 45.7 p30 -65.85 -24.72 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 36' ' ' ASN . 45.8 t0 -77.2 23.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.267 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -72.49 173.57 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.706 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp -139.53 110.76 6.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.118 0.485 . . . . 0.0 110.032 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -100.98 146.5 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.61 135.75 35.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.89 139.4 39.24 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.103 0.477 . . . . 0.0 110.157 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.2 ptm -77.67 -5.67 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.033 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -118.06 -85.37 0.65 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.154 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.7 p -66.28 -4.56 8.09 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.603 0.239 . . . . 0.0 111.518 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 48.06 36.5 6.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.46 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -91.72 127.22 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.061 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.22 114.15 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -149.08 170.78 17.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.384 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -106.13 -166.52 23.07 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -48.97 -7.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -71.09 -49.51 43.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.482 . . . . 0.0 110.011 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.5 m -87.64 4.61 43.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.872 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.87 142.02 51.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.039 0.447 . . . . 0.0 111.133 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.1 t -69.46 160.64 31.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.502 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.12 -41.27 98.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.901 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 m -62.85 -46.14 89.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 49.7 mt-30 -64.71 -48.47 74.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.013 0.435 . . . . 0.0 111.379 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.427 ' O ' ' OG1' ' A' ' 62' ' ' THR . 6.8 t-105 -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.25 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.3 p -66.67 -20.3 65.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -78.49 -20.05 51.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.369 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.519 ' OG1' ' CE2' ' A' ' 63' ' ' PHE . 72.5 p -71.65 -7.62 49.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CE2' ' OG1' ' A' ' 62' ' ' THR . 42.9 m-85 -124.78 146.13 49.38 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.971 0.415 . . . . 0.0 110.247 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.509 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -123.46 155.85 36.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.867 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 122.07 44.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.196 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -128.9 131.11 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.063 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 50.81 26.03 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.99 15.61 78.63 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -117.61 143.91 45.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.794 0.331 . . . . 0.0 110.355 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -77.89 123.62 26.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.214 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.02 134.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.2 p -69.64 147.23 50.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 64' ' ' THR . 96.3 t -70.45 141.89 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.384 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.9 p -66.76 -41.95 86.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.019 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' H ' HG12 ' A' ' 73' ' ' VAL . 1.9 m-20 -151.07 79.07 7.03 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.313 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 140.87 14.95 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.127 1.885 . . . . 0.0 112.535 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -120.73 109.86 15.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.16 148.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.12 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 89.3 mt -87.9 153.3 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 79' ' ' ILE . 13.7 p -93.13 155.01 17.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -61.04 -29.77 69.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.085 0.469 . . . . 0.0 110.564 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 m -65.2 -38.02 89.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.389 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.4 -73.12 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.476 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 38.41 73.17 0.8 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.771 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.5 -29.46 16.44 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.043 1.829 . . . . 0.0 112.37 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -171.39 -78.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.672 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 50.47 -126.35 2.28 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.3 t60 41.24 81.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -159.33 159.55 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.8 m -57.46 172.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.02 138.04 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -85.28 138.02 32.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.737 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 14.8 t -110.42 137.88 47.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -96.41 -12.41 24.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -84.38 -21.69 30.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.8 m -121.23 -10.98 8.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.57 35.55 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.207 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -141.47 155.87 45.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.737 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -86.36 140.68 29.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -135.97 147.49 48.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.456 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.97 165.25 26.34 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 tt -69.38 -32.72 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.37 -41.31 96.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.47 5.27 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -121.9 141.45 51.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.726 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -87.23 163.7 16.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.07 -37.49 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.62 88.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.529 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -75.88 -16.64 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.147 0.499 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.07 -20.55 44.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -85.86 -43.48 13.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.5 m -54.31 167.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.408 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 113' ' ' LEU . 7.4 mp -81.64 -15.63 53.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -131.22 79.18 71.08 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.4 140.71 95.58 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.451 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 91.3 mtt180 -129.13 141.13 51.28 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.89 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -66.06 145.19 56.14 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.827 0.346 . . . . 0.0 110.308 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -50.65 -10.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.478 ' H ' ' C ' ' A' ' 117' ' ' CYS . 81.5 mt -87.89 -49.44 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.7 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -64.02 -31.95 73.32 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.148 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -68.74 -41.4 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.604 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.497 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.8 t-80 -47.46 -52.59 16.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.157 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.3 p -83.62 -50.47 8.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 110.621 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 125' ' ' ARG . 39.1 tt0 -80.86 36.51 0.4 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.391 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 124' ' ' GLN . 11.8 ptm180 30.87 -105.16 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.501 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.44 61.39 3.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -62.0 -45.34 94.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -169.34 111.97 0.5 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -93.14 2.75 56.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.523 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -89.91 0.82 56.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 37' ' ' ASP . 52.8 t0 -93.38 13.6 21.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.03 0.443 . . . . 0.0 110.453 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.92 138.27 49.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 40' ' ' ILE . 11.4 mt -105.55 127.31 52.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -91.11 137.21 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.1 ttt -85.59 123.15 30.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.421 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.1 t -86.1 147.69 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptm -97.7 -8.02 29.6 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.92 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -87.55 -58.81 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.058 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -104.0 14.75 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.582 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 41.27 30.31 0.12 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.917 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -107.2 155.55 19.79 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.52 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.255 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -134.49 140.63 46.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.57 170.66 38.84 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 tt -45.71 -26.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -72.84 -40.22 65.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p -96.83 10.39 39.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.309 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.48 141.05 49.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.964 0.411 . . . . 0.0 110.701 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.0 t -60.84 148.97 37.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.119 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.14 -43.15 99.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.5 m -62.51 -49.49 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -60.31 -46.82 88.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -61.76 -38.32 87.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -72.67 -26.53 61.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.21 -12.66 61.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' VAL . 44.5 p -87.75 5.68 38.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.948 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.76 147.44 48.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 110.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 p -132.85 160.28 37.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.21 117.16 32.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.066 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.55 147.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.529 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 53.37 18.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.723 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.14 24.01 69.95 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -66.19 127.78 33.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.21 136.77 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.5 m -72.6 145.95 46.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 62' ' ' THR . 72.6 t -71.23 154.35 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.401 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 p -92.36 -34.27 14.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.709 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' N ' HG12 ' A' ' 73' ' ' VAL . 6.9 p-10 -128.08 70.67 78.57 Favored Pre-proline 0 N--CA 1.466 0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.165 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.67 89.52 1.11 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.743 2.295 . . . . 0.0 112.177 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 91.56 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.65 162.8 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.956 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 80' ' ' CYS . 87.2 mt -115.38 159.74 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.927 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.546 ' N ' HG22 ' A' ' 79' ' ' ILE . 3.3 m -78.24 169.47 18.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -70.26 -35.58 73.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.402 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 p -82.95 -25.81 32.0 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.772 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.28 -20.06 59.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.285 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 2.6 mt-30 -54.99 -62.61 3.97 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.317 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 84' ' ' GLN . 29.6 Cg_endo -61.41 158.73 34.58 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.564 2.176 . . . . 0.0 111.905 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.11 135.83 57.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.134 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.617 ' H ' ' CD ' ' A' ' 87' ' ' GLN . 2.6 pm0 -42.86 165.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -65.93 168.67 7.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.576 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -82.05 8.86 9.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.4 p -57.5 176.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.465 HD11 ' HE ' ' A' ' 110' ' ' ARG . 96.7 mt -132.92 136.03 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -84.58 135.24 34.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -99.08 124.69 44.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 p -95.07 -10.43 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -73.7 -45.89 49.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.87 -6.3 14.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.96 38.96 3.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -129.16 141.06 51.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.0 m -81.22 133.39 35.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -135.89 146.29 47.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.68 167.25 54.48 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 102' ' ' ILE . 30.5 pt -72.34 -16.35 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.11 -42.38 84.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 44.4 mp0 -94.11 14.99 18.25 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.526 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.442 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -119.88 130.44 54.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.435 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.551 ' HG ' ' CD ' ' A' ' 109' ' ' GLN . 5.5 p -58.79 147.86 31.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.058 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -64.99 -41.14 95.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.96 73.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.551 ' CD ' ' HG ' ' A' ' 106' ' ' SER . 2.1 mp0 -63.34 -45.22 92.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.465 ' HE ' HD11 ' A' ' 91' ' ' ILE . 34.1 mtp180 -56.7 -3.08 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 109' ' ' GLN . 75.5 m80 -114.92 21.23 14.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.411 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 109' ' ' GLN . 2.0 m -127.21 158.73 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 113' ' ' LEU . 10.3 mp -64.7 -40.8 95.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.02 94.79 48.72 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.03 0.206 . . . . 0.0 110.507 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -77.57 130.7 10.94 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.432 2.088 . . . . 0.0 111.846 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.442 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 85.1 mtt85 -108.59 128.26 54.67 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.381 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.421 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.6 p -60.06 150.73 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -50.09 -14.99 0.18 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 117' ' ' CYS . 77.9 mt -88.34 -40.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.2 m -67.83 -36.16 79.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 122' ' ' HIS . 17.1 m -68.92 -36.55 74.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 84.6 t60 -81.16 -2.71 49.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.8 p -116.64 -11.6 11.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 125' ' ' ARG . 23.0 mm-40 -139.56 39.08 2.04 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.722 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 124' ' ' GLN . 8.2 ptp180 30.9 -104.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.692 0.62 . . . . 0.0 110.77 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.44 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.31 99.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -89.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.712 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -95.67 100.71 12.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 56.0 t0 -68.67 -16.14 63.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' H ' ' A' ' 38' ' ' ALA . 8.1 m120 -62.05 -33.06 73.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.268 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.45 0.75 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -69.72 141.38 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.442 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.01 125.07 52.52 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' ' CE1' ' A' ' 54' ' ' TYR . 31.6 mm -111.65 128.04 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 110.251 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -104.57 138.35 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.999 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -90.34 152.22 21.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 111.872 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -82.16 2.12 33.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.423 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -107.2 -93.14 0.4 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 110.664 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -7.75 44.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 59.28 38.82 23.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.331 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.521 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 21.3 mttm -78.8 126.85 31.26 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.64 123.7 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.681 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -168.37 177.2 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -81.46 -171.68 45.71 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.39 -3.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.193 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 50' ' ' GLY . 66.2 t0 -73.98 -54.51 7.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -78.71 3.38 16.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 40' ' ' ILE . 6.8 m-85 -126.65 137.6 53.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.094 0.473 . . . . 0.0 110.555 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.2 p -70.56 154.7 41.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.379 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 60' ' ' SER . 21.0 m -62.75 -48.4 79.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -70.02 -40.91 74.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 83.8 t90 -64.21 -36.37 83.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.699 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' THR . 91.1 p -61.79 -22.4 65.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.3 -5.25 46.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TRP . 47.6 p -67.48 -10.33 50.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HA ' HG23 ' A' ' 73' ' ' VAL . 25.0 p90 -145.95 155.46 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.435 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.4 p -125.78 175.61 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.982 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE1' ' OG1' ' A' ' 70' ' ' THR . 0.2 OUTLIER -120.99 144.06 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.155 -179.422 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.2 t -132.16 124.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.871 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.578 HH21 ' NH1' ' A' ' 69' ' ' ARG . 49.7 ptt85 34.18 36.14 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.05 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.79 32.26 13.44 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.578 ' NH1' HH21 ' A' ' 67' ' ' ARG . 62.4 ttp180 -134.7 121.24 20.51 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.944 0.402 . . . . 0.0 110.719 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.507 ' OG1' ' CE1' ' A' ' 65' ' ' PHE . 25.5 m -72.83 128.69 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.44 141.15 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.9 m -78.34 141.22 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.55 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' A' ' 63' ' ' PHE . 83.0 t -73.83 134.98 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 m -65.42 -40.16 93.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.935 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.25 84.1 8.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.512 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.35 118.66 4.34 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.297 1.998 . . . . 0.0 111.998 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.21 103.11 14.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.61 164.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -119.98 128.21 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.555 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 14.3 p -56.41 161.95 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.261 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 38.6 ptt180 -69.94 -22.71 63.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.555 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 12.8 p -80.33 -22.16 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.544 ' N ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -64.7 -55.42 20.11 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 81' ' ' ARG . 43.4 mt-30 36.35 82.15 0.23 Allowed Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.344 0.402 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.95 -37.78 67.83 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.493 2.129 . . . . 0.0 111.862 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -63.37 129.12 38.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.534 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -172.01 109.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.477 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.56 -41.78 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -84.76 114.52 22.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.129 0.49 . . . . 0.0 110.39 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -136.66 155.92 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.471 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.2 mt -129.59 134.55 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -84.65 128.25 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.4 t -103.72 137.4 41.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.779 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p -98.76 -10.44 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.13 22.7 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -100.41 -31.79 11.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 79.22 26.77 0.42 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.11 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -140.82 156.56 46.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.2 m -85.28 138.88 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -135.59 146.84 48.36 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.312 0.577 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.33 169.04 50.18 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.024 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.05 -23.99 25.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.726 0.298 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -63.2 -42.77 99.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.144 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 80.0 mm-40 -88.83 13.91 11.51 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.44 139.11 54.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.495 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.6 m -77.49 161.9 27.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.408 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 107' ' ' LYS . 1.2 mptm? -70.06 -43.87 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.507 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -58.4 -26.03 62.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.21 0.528 . . . . 0.0 110.076 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -73.18 -37.24 66.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -60.57 -44.03 96.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.457 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 109' ' ' GLN . 34.2 m -67.17 146.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.308 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 113' ' ' LEU . 9.6 mp -66.16 -23.23 66.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.479 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -125.38 82.4 62.77 Favored Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.3 142.21 94.77 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.554 2.169 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.442 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 96.9 mtt180 -128.79 120.98 27.35 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.639 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -54.31 152.65 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.022 0.439 . . . . 0.0 110.747 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.495 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.6 mp0 -54.89 -10.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.767 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -88.01 -48.15 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.8 OUTLIER -66.78 -30.55 70.79 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.046 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 123' ' ' SER . 10.4 m -74.5 -35.69 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.749 0.309 . . . . 0.0 110.566 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -63.66 0.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 121' ' ' VAL . 44.2 p -89.88 -50.22 6.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.659 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 126' ' ' ASN . 11.2 tt0 -140.51 39.95 1.88 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.951 0.405 . . . . 0.0 110.338 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 52.04 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 124' ' ' GLN . 62.3 t30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.94 100.68 2.71 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.46 145.96 27.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 110.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -156.95 170.98 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.535 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.3 -39.49 93.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' C ' ' H ' ' A' ' 38' ' ' ALA . 78.1 m-20 -62.88 -37.11 85.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.6 t0 -67.42 17.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.567 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -49.27 -179.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.202 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 49' ' ' LYS . 85.2 mt -139.53 109.44 6.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 0.0 110.229 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.52 150.08 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ttt -88.91 135.28 33.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.421 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.36 147.87 37.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.5 ptm -94.69 -6.64 42.77 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -107.81 -63.15 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.75 0.31 . . . . 0.0 111.599 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 19.4 p -95.49 -3.44 46.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 55.23 29.63 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.747 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 tttm -91.72 121.2 33.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.67 133.19 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.334 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.1 mmtt -168.08 172.54 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.926 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -103.85 -168.21 25.25 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 tt -50.42 -8.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.599 0.238 . . . . 0.0 111.459 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 50' ' ' GLY . 63.5 t0 -69.89 -46.88 64.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.751 0.31 . . . . 0.0 110.458 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.71 4.08 52.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.799 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.4 133.56 54.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.524 ' H ' HE21 ' A' ' 58' ' ' GLN . 36.2 t -62.83 156.75 23.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.896 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -60.4 -40.46 91.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -62.37 -48.82 78.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.524 HE21 ' H ' ' A' ' 55' ' ' SER . 31.8 mt-30 -61.19 -44.57 97.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.73 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.416 ' NE1' ' O ' ' A' ' 36' ' ' ASN . 1.8 t-105 -60.42 -38.44 84.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.139 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 m -66.06 -20.57 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -79.3 -24.94 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.572 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.0 p -68.55 -7.22 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.62 177.91 4.53 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.648 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.02 150.77 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.8 135.26 49.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.07 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 69' ' ' ARG . 47.0 t -132.39 112.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.041 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 40.62 42.86 1.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.09 68.49 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.0 tpt180 -118.83 123.45 44.78 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.231 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -73.02 125.01 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.328 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.64 139.9 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.3 t -79.1 147.62 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' THR . 60.4 t -72.29 134.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.368 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -63.17 -44.45 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.25 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -147.5 79.78 9.43 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -80.2 149.32 19.56 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.494 2.129 . . . . 0.0 112.219 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -120.09 105.2 10.78 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.205 0.526 . . . . 0.0 110.465 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.98 159.68 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.36 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 79' ' ' ILE . 11.9 pt -109.54 160.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.509 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.8 p -80.35 166.99 20.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -60.96 -39.74 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.509 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 60.4 p -63.48 -29.82 71.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.607 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.39 -17.5 59.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -143.61 68.72 16.91 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.315 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.43 118.41 4.26 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.611 2.208 . . . . 0.0 112.101 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -86.56 -10.05 54.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.594 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -142.9 156.38 44.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 89' ' ' ASP . 57.0 t-80 -155.47 156.79 35.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.414 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.423 ' O ' ' ND1' ' A' ' 88' ' ' HIS . 98.4 m-20 -84.17 -175.97 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 m -56.95 173.29 0.22 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -125.93 132.32 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.228 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.73 123.3 30.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.521 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.05 132.83 35.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -90.88 -12.66 35.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.38 -17.54 27.07 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.471 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.04 -11.25 8.92 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 55.08 36.31 26.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.709 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -141.64 157.09 45.52 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -83.39 137.9 33.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -136.9 146.47 45.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.165 0.507 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.31 167.08 44.15 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.4 pt -77.2 -20.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.734 0.302 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -65.21 -42.34 93.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 96.2 mt-10 -84.17 17.32 2.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.64 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.91 141.12 51.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.31 0.576 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -73.98 163.27 28.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.419 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.29 -27.81 67.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.58 -36.22 22.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.08 -36.07 80.57 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -79.49 -8.43 59.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.439 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -94.03 -44.97 7.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.436 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.3 m -52.99 177.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.88 -15.7 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -133.84 77.65 62.58 Favored Pre-proline 0 C--N 1.332 -0.195 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.37 141.25 94.8 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.785 2.323 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -135.71 132.63 37.15 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.644 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.6 OUTLIER -60.76 150.81 31.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.493 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 7.6 mp0 -55.46 -10.21 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.167 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' N ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -87.81 -43.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.644 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -70.9 -30.56 66.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.972 -179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 122' ' ' HIS . 12.3 m -70.81 -38.09 71.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.83 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 35.2 m170 -85.71 -2.09 57.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.725 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 m -123.31 -61.29 1.42 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 120' ' ' CYS . 27.9 mm100 -87.41 19.55 3.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.482 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 58.39 178.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.502 -179.695 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.23 87.37 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.18 -38.91 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.726 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -85.27 5.88 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -64.78 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.53 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -80.09 12.48 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.62 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -86.01 14.62 5.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 147.6 53.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 40' ' ' ILE . 18.6 mt -118.86 132.84 56.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.9 mp -107.51 140.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.3 ttt -95.92 122.09 38.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.427 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 t -70.56 137.18 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.229 0.538 . . . . 0.0 111.0 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 5.7 ptt? -82.78 6.43 18.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -123.65 -91.46 0.55 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.365 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.7 p -64.85 -10.13 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.499 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 56.05 36.46 27.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.825 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.03 108.75 19.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.007 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -82.83 117.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -153.79 175.85 12.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.608 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -96.52 -168.69 34.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -52.29 -7.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 49.6 t0 -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -91.21 2.05 56.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 5.6 m-85 -127.22 137.58 52.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -75.46 164.55 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.407 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.22 -37.4 87.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.2 m -59.92 -51.33 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -75.85 -42.3 49.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.92 -40.75 89.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 m -81.37 -9.17 59.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 63' ' ' PHE . 10.9 ttmm -79.22 -33.67 43.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 ' C ' HG23 ' A' ' 73' ' ' VAL . 34.6 p -68.99 10.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.5 m-85 -123.24 148.61 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.984 0.421 . . . . 0.0 110.271 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.7 p -128.96 159.21 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.251 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -109.01 115.47 30.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.11 148.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 54.45 18.96 2.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.22 24.35 66.27 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -134.19 162.52 31.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.396 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 m -86.96 126.74 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.19 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 64' ' ' THR . 22.7 m -134.48 152.53 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.568 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 p -78.55 159.5 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG22 HG23 ' A' ' 64' ' ' THR . 75.7 t -90.1 132.13 35.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.264 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.9 t -62.13 -43.4 98.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -132.08 80.42 64.52 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.731 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.42 137.86 13.47 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.589 2.193 . . . . 0.0 111.955 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -120.89 95.27 4.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.167 0.508 . . . . 0.0 110.745 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.38 167.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 167.13 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.541 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -79.71 157.02 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 90.5 mtm180 -55.66 -42.36 74.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.101 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 m -59.83 -39.98 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.413 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.4 m -66.44 -24.52 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -147.11 77.14 11.02 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.41 147.09 25.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.539 2.159 . . . . 0.0 111.848 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -129.24 -66.53 0.81 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.469 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.86 59.5 1.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -149.39 -22.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -95.62 15.11 20.79 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.466 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -128.9 138.73 52.17 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.407 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.66 129.11 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.011 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -79.35 112.41 16.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 5.4 t -89.17 134.52 33.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.351 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.52 -7.97 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.235 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -90.34 -11.19 41.38 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.679 ' HB3' HE21 ' A' ' 98' ' ' GLN . 96.8 m -122.55 -34.96 3.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.423 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.4 tp60 80.72 35.83 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.494 0.496 . . . . 0.0 110.24 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.679 HE21 ' HB3' ' A' ' 96' ' ' CYS . 11.6 pt20 -150.62 167.1 28.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.522 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 141.21 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.472 ' NZ ' ' OE1' ' A' ' 98' ' ' GLN . 30.0 mmtm -136.91 144.96 43.75 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.977 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.32 168.3 54.81 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -80.67 -11.31 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -64.9 -44.75 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.16 17.86 14.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.2 OUTLIER -123.13 136.78 54.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.018 0.437 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 m -67.59 149.28 50.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.408 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.42 -42.11 99.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.421 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.62 82.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.05 -17.95 59.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.587 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -84.53 -18.79 34.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -88.88 -40.41 13.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.293 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 m -55.61 152.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 0.0 110.599 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.18 -30.87 71.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.641 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -121.18 99.62 46.08 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.455 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.71 138.97 19.58 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.516 2.144 . . . . 0.0 112.074 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.93 126.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.445 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 66.9 m -43.1 142.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.524 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 3.3 tp-100 -45.47 -26.84 0.62 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 123' ' ' SER . 10.5 tp -89.4 -37.49 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.57 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 5.7 m -53.46 -40.64 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.229 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.7 m -68.9 -39.72 80.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.494 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.435 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.2 m80 -89.08 2.05 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.676 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' ILE . 66.1 m -74.57 -63.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -141.41 35.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 53.16 -166.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.583 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -165.98 168.26 39.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt 44.33 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 110.669 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' GLY . 89.3 m-20 54.82 90.09 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.87 0.367 . . . . 0.0 110.531 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.96 -16.28 64.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -87.09 11.84 12.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 53.8 t0 -83.97 11.18 8.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.01 143.18 58.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.502 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -119.43 123.55 44.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 110.425 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 40' ' ' ILE . 1.6 mp -94.62 140.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.7 ttt -87.62 122.69 31.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.578 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 43.9 t -85.12 110.0 18.66 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -63.03 -8.72 7.96 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.031 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -85.36 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.23 15.58 28.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.732 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.2 mtt-85 42.97 29.18 0.17 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -89.54 136.7 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.61 118.69 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -146.55 167.36 23.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.253 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.98 -176.53 42.39 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.213 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -49.63 -11.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.153 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 50' ' ' GLY . 64.4 t0 -66.84 -42.17 86.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.089 0.471 . . . . 0.0 110.551 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -100.23 7.15 44.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.921 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -125.48 136.7 53.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.173 0.511 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.3 t -69.05 150.6 47.45 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -58.95 -40.32 84.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.03 -49.85 74.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.13 -38.22 81.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -67.45 -38.95 85.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -61.6 -12.86 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.37 -9.88 57.02 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.6 p -66.77 -1.87 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -158.57 161.09 37.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.456 HG23 ' CG1' ' A' ' 73' ' ' VAL . 37.4 p -133.71 170.19 15.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.143 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 122.77 47.31 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 69' ' ' ARG . 57.9 t -130.73 132.65 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.328 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 46.92 28.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 25.42 66.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 66' ' ' VAL . 73.9 ttp85 -130.54 131.01 44.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.939 0.4 . . . . 0.0 110.593 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -65.55 129.48 39.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.289 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 64' ' ' THR . 6.3 m -133.92 135.06 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.4 p -81.26 133.23 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.321 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 73' ' ' VAL . 35.4 m -76.7 121.75 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -71.81 9.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.632 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 19.0 p-10 -148.89 68.14 9.55 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.33 89.36 1.32 Allowed 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.978 2.452 . . . . 0.0 111.389 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.24 91.89 6.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.7 160.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.079 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 80' ' ' CYS . 94.1 mt -104.18 156.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.492 ' N ' HG22 ' A' ' 79' ' ' ILE . 17.2 p -82.14 169.61 16.43 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -75.35 -23.61 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 m -68.99 -39.17 79.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLN . 61.2 m -78.59 0.55 25.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.287 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.446 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 5.5 mt-30 -36.73 -62.11 0.57 Allowed Pre-proline 0 N--CA 1.469 0.493 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.538 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 28.5 Cg_endo -60.43 143.58 99.47 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 122.112 1.874 . . . . 0.0 111.631 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -106.0 154.09 21.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.839 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -115.05 -154.41 0.55 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.329 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -64.11 148.14 50.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.02 152.75 52.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -139.02 157.81 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.62 132.55 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -81.77 123.78 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.306 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -91.93 132.61 36.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -91.55 -9.68 43.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.873 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 116' ' ' ARG . . . -93.26 -14.7 26.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.504 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.4 m -124.1 -10.58 7.6 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.273 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 55.18 38.6 30.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.77 162.24 38.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -86.04 143.03 28.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -137.64 145.6 42.88 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.197 0.522 . . . . 0.0 111.031 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 165.13 44.21 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.5 -23.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.279 . . . . 0.0 110.831 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.52 -41.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.148 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -83.5 14.9 3.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.756 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.2 m-85 -128.29 139.27 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.301 0.572 . . . . 0.0 110.689 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -86.64 174.28 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.533 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.85 -37.97 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.831 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.61 81.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 105' ' ' PHE . 36.0 mt-30 -58.27 -42.07 85.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -81.06 -22.2 39.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -69.11 -38.0 78.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.27 168.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.632 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.555 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -84.8 -9.0 58.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -133.97 77.91 61.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.63 141.26 96.81 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.961 2.441 . . . . 0.0 112.087 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 55.7 mtp85 -138.37 127.01 23.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.444 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.674 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -50.85 154.21 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.383 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.01 -10.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.897 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mm -88.95 -36.04 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.1 OUTLIER -77.42 -30.76 53.64 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 18.5 m -67.26 -38.61 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.3 m-70 -87.49 3.23 48.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.9 t -99.13 -52.13 3.63 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' A' ' 126' ' ' ASN . 78.3 mt-30 -97.36 8.36 44.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.555 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 56.81 3.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 124' ' ' GLN . 18.4 t-20 . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 43.2 ttm . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.68 39.55 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.53 -43.6 96.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.55 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.78 135.27 48.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.97 -0.65 57.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.03 4.75 47.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -91.94 1.29 57.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 137.2 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 40' ' ' ILE . 1.7 mp -111.2 132.97 53.9 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.003 0.43 . . . . 0.0 110.67 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.743 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.8 mp -96.84 152.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.7 ttt -94.5 129.49 41.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.1 137.74 43.48 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.36 0.6 . . . . 0.0 111.709 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.06 3.84 19.02 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' A' ' 46' ' ' ARG . 27.0 mmt180 -121.36 -90.52 0.58 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 p -66.09 2.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 44' ' ' ARG . 88.5 mtm180 41.32 35.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -95.16 114.36 26.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.371 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.95 114.53 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.357 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -138.93 164.38 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.35 -175.17 41.96 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 tt -49.93 -9.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 50' ' ' GLY . 30.1 t70 -67.99 -42.65 80.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -100.0 -2.04 35.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.77 126.02 54.36 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -58.06 156.31 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.266 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.63 -47.45 86.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.6 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.7 m -62.49 -44.59 96.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -54.17 -35.63 62.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -84.33 -16.77 41.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 63' ' ' PHE . 14.4 ttmm -68.6 -37.05 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 p -68.82 12.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 61' ' ' LYS . 80.9 m-85 -122.72 147.96 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -129.58 160.87 31.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.179 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.84 54.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.3 p -133.89 137.37 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.671 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 48.16 23.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.766 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.72 25.72 57.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' VAL . 36.7 mmt180 -127.11 149.37 49.97 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -81.07 124.39 29.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.365 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.52 137.49 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -74.53 149.68 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.06 130.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.256 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.0 p -69.09 -34.89 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.207 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -135.13 75.08 60.93 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.858 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -80.62 142.94 14.73 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.727 2.285 . . . . 0.0 111.954 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -129.11 100.7 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.01 156.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -104.47 118.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.42 166.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -76.55 -19.32 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -75.67 -25.78 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -83.64 -7.5 59.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.404 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.411 ' OE1' ' OE1' ' A' ' 87' ' ' GLN . 51.7 mt-30 -45.77 151.36 0.84 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.596 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 86' ' ' LYS . 43.0 Cg_endo -68.36 104.05 1.03 Allowed 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.49 2.127 . . . . 0.0 112.064 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 85' ' ' PRO . 87.3 tttt 40.73 98.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' OE1' ' A' ' 84' ' ' GLN . 55.8 tt0 -143.78 103.4 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -125.25 148.05 48.83 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.11 19.93 4.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.5 t -57.39 170.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -129.99 132.65 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.208 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -87.8 118.19 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.007 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.5 t -81.99 133.23 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.7 p -88.71 -16.48 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.581 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.619 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -86.29 -11.95 50.81 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.474 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.6 m -115.29 -35.32 4.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.332 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.7 tp60 80.26 28.89 0.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -141.84 159.18 42.76 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.972 0.415 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.4 m -78.33 128.14 33.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -121.08 138.24 54.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.89 155.06 21.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -69.19 -36.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.803 0.335 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -57.06 -40.45 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -81.23 19.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.18 152.46 47.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -91.09 160.99 15.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.154 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.62 -41.39 79.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.888 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.07 86.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.451 HE21 HG11 ' A' ' 121' ' ' VAL . 40.9 mm-40 -58.24 -23.93 57.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.362 0.601 . . . . 0.0 110.839 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -79.55 -25.75 41.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.44 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.31 -40.65 70.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.97 151.99 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.81 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.727 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -121.51 85.87 43.74 Favored Pre-proline 0 N--CA 1.465 0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.479 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.89 145.99 94.98 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.759 2.306 . . . . 0.0 111.976 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -127.84 140.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.441 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.8 p -71.12 149.75 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -50.94 -12.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.625 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 117' ' ' CYS . 15.0 mm -89.28 -42.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.6 m -66.63 -33.32 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.4 m -72.67 -41.97 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.514 ' N ' HG23 ' A' ' 121' ' ' VAL . 36.5 m-70 -83.66 -6.48 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.434 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.4 t -63.53 -51.92 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -143.28 38.38 1.4 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 53.85 20.3 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.63 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.505 ' SD ' ' N ' ' A' ' 31' ' ' MET . 3.9 mpp? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.52 131.16 10.44 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -116.85 109.05 16.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -152.15 -141.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -78.82 -0.59 31.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -89.48 11.82 18.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.621 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.29 5.16 24.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.08 134.48 38.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.653 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 40' ' ' ILE . 41.0 mt -126.98 118.76 25.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.22 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.777 HD12 ' N ' ' A' ' 40' ' ' ILE . 2.7 mp -102.82 138.99 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.438 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 ttp -91.53 136.98 32.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 36.9 t -79.72 141.37 36.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.675 0.75 . . . . 0.0 111.753 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 ppp? -81.22 -2.98 50.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -89.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 110.891 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.93 -0.9 3.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 79.4 mtp85 46.98 35.49 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -88.57 126.07 35.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.59 126.64 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.413 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.6 mmtt -161.99 172.99 15.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.194 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -93.35 -169.29 39.02 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.42 -5.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 50' ' ' GLY . 58.2 t0 -71.82 -48.35 46.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -92.38 -0.41 57.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.843 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.84 126.44 52.41 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -60.67 155.68 18.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.228 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.82 -43.2 99.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -63.57 -49.67 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.42 -41.63 96.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.499 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -63.08 -37.37 86.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 m -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.33 -20.42 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.514 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 58.3 p -76.59 -2.28 31.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 79.7 m-85 -123.41 145.31 48.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.972 0.415 . . . . 0.0 110.005 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 73' ' ' VAL . 16.1 p -127.78 158.61 37.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.138 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 120.31 40.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.497 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.49 132.21 68.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.344 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 50.91 27.53 3.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.79 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.0 18.77 78.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -122.79 145.04 48.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.587 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.6 m -77.46 124.0 27.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.224 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.89 134.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.504 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -69.83 141.26 53.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 64' ' ' THR . 73.6 t -66.35 138.66 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.268 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -69.73 -42.67 73.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.27 78.95 75.11 Favored Pre-proline 0 N--CA 1.465 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.37 112.9 3.27 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.574 2.182 . . . . 0.0 112.068 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -116.99 104.56 11.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 109.924 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 160.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 20.4 mm -102.65 114.76 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 84' ' ' GLN . 9.5 p -54.84 162.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 84.8 mtm180 -55.06 -44.04 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.496 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -57.98 -45.3 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.747 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.9 m -83.31 -14.91 51.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.294 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' CYS . 51.9 tt0 -63.23 129.3 93.38 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.867 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.09 154.01 57.36 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.419 2.079 . . . . 0.0 112.174 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -60.75 -73.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.166 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -138.25 81.74 1.87 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.975 0.417 . . . . 0.0 110.603 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -167.98 119.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.586 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -165.3 78.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 m -56.8 164.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -126.75 136.58 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -78.6 126.83 31.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.66 134.98 48.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.149 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.9 p -88.68 -24.94 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.46 74.21 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -101.0 -18.16 16.41 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 57.96 32.61 22.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.12 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -144.2 163.78 32.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.9 m -72.79 133.86 44.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -129.2 133.09 47.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.565 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.95 160.47 15.3 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -72.84 -35.46 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.939 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -57.08 -40.65 77.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.343 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -84.41 29.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.426 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -138.27 158.11 44.94 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.687 -179.843 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -92.64 168.77 11.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -76.89 -42.11 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.79 74.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.538 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -54.43 -31.89 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.149 0.5 . . . . 0.0 110.334 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -77.74 -7.14 56.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -92.84 -38.31 11.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.47 157.27 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.345 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.82 -36.44 83.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.732 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -115.72 101.38 54.14 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.046 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.73 134.84 12.39 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 122.236 1.957 . . . . 0.0 111.811 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.444 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 81.5 mtt-85 -129.26 140.28 51.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.418 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 m -53.73 148.98 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.14 -20.07 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.1 mm -88.97 -20.03 7.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.4 m -83.5 -31.3 26.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 122' ' ' HIS . 33.7 m -76.09 -44.38 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.526 ' N ' HG23 ' A' ' 121' ' ' VAL . 32.3 m170 -80.86 3.34 22.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.379 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.9 t -66.57 -78.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -137.32 -36.11 0.66 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -137.07 150.71 48.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.524 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.82 10.34 81.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -148.08 158.69 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.53 117.97 8.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 65.0 t0 -63.23 -30.46 71.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' ALA . 7.5 m-20 -61.14 -40.28 93.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.542 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 37.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.577 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -78.41 179.23 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 49' ' ' LYS . 83.1 mt -135.37 108.59 7.75 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.418 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.71 143.79 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 ttt -89.84 134.44 34.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -77.62 136.43 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ptm -79.39 3.41 18.45 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.549 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.47 -91.87 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 47' ' ' LYS . 30.2 p -63.84 -8.95 12.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.905 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 56.2 36.12 26.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 45' ' ' CYS . 40.3 mmtm -94.88 116.68 29.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.1 t -83.39 131.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.534 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' C ' HD23 ' A' ' 39' ' ' LEU . 6.1 tptm -168.8 178.19 4.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.404 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -105.64 -167.18 23.54 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.326 -0.709 . . . . 0.0 111.326 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.54 -2.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 50' ' ' GLY . 20.8 p-10 -72.67 -55.97 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.989 0.423 . . . . 0.0 110.592 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -96.05 4.69 52.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.468 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.91 121.23 40.86 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 28.9 t -41.02 142.49 0.49 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.625 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.46 -41.52 98.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.71 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -60.41 -42.11 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.64 -37.36 87.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.94 -40.7 89.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.989 0.423 . . . . 0.0 110.797 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -62.97 -23.53 67.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.82 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.66 -24.97 41.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 73' ' ' VAL . 63.5 p -67.77 -11.72 59.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -106.98 179.97 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -154.96 155.41 34.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.271 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 129.61 56.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.8 p -134.8 132.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 43.32 29.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.39 27.02 58.36 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.5 mtt180 -124.48 140.18 53.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.315 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -77.47 126.3 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 64' ' ' THR . 28.0 m -138.15 152.17 25.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.406 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -87.58 147.12 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 62' ' ' THR . 76.4 t -67.03 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 39.0 t -61.48 -44.49 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 74' ' ' SER . 29.4 m-20 -133.51 79.81 58.94 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.45 109.26 0.37 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.534 2.156 . . . . 0.0 112.158 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -115.95 94.65 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.534 0.683 . . . . 0.0 109.993 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.42 161.61 14.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.929 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.71 151.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.246 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.516 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.0 p -87.94 179.58 6.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.132 0.491 . . . . 0.0 110.802 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 99.7 mtt180 -66.96 -55.9 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.516 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 72.6 p -48.84 -45.69 41.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.77 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.2 m -75.56 -16.8 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.734 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -127.42 70.36 75.97 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.56 121.83 6.59 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.67 2.247 . . . . 0.0 111.987 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 63.3 mttp -63.84 -38.43 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' LYS . 5.0 tp-100 77.84 13.82 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -67.83 -37.64 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 90' ' ' SER . 55.7 t0 -142.92 135.6 27.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.345 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 15.2 p -143.23 164.95 28.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -126.69 130.03 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -85.69 111.47 20.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.9 t -73.89 132.82 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 p -89.42 -16.57 30.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.583 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -85.67 -11.57 53.46 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 85.0 m -117.05 -36.49 3.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.8 tt0 82.42 32.47 0.09 Allowed 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.617 0.573 . . . . 0.0 110.246 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -145.47 159.06 43.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -72.6 134.35 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 12.5 tptp -125.28 134.93 52.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.04 155.48 30.76 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.98 -36.51 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -56.3 -44.01 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.743 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 96.6 mt-10 -84.16 22.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.655 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -126.1 145.91 50.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.628 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 m -81.95 146.8 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.34 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.77 -39.02 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.782 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.23 89.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.938 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.2 mt-30 -63.41 -53.57 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -39.73 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 0.0 110.755 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 109' ' ' GLN . 78.6 t60 -65.99 -40.86 91.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.851 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.938 HG22 ' O ' ' A' ' 109' ' ' GLN . 20.5 m -61.16 157.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.733 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.22 -22.03 62.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 114' ' ' ASP . 26.0 p-10 -125.32 81.36 63.94 Favored Pre-proline 0 N--CA 1.467 0.386 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.364 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.73 142.59 82.65 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 111.97 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.47 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 96.1 mtt-85 -126.09 141.18 52.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 119' ' ' ILE . 25.3 p -75.16 153.52 38.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.403 ' C ' HD12 ' A' ' 119' ' ' ILE . 29.8 mm100 -50.88 -12.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.912 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.6 mp -89.97 -40.18 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.8 m -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.5 m -70.86 -42.06 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.703 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.518 ' N ' HG23 ' A' ' 121' ' ' VAL . 39.8 t-80 -75.36 -1.52 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.579 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.496 ' OG ' ' N ' ' A' ' 124' ' ' GLN . 67.3 p -99.09 -69.2 0.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.718 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.496 ' N ' ' OG ' ' A' ' 123' ' ' SER . 78.4 mt-30 -92.3 38.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.516 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 43.89 -94.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 124' ' ' GLN . 25.8 t-20 . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.501 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.524 ' SD ' ' N ' ' A' ' 31' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.76 118.56 0.8 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.64 -43.39 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -75.38 97.94 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.437 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 31.5 p-10 -91.28 -1.49 57.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -64.18 -38.64 91.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 p30 -78.64 7.19 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.22 154.47 31.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 49' ' ' LYS . 35.9 mt -113.27 131.42 55.93 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.824 0.345 . . . . 0.0 110.215 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.8 mp -101.0 127.77 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.485 ' CE ' ' HE ' ' A' ' 46' ' ' ARG . 24.0 ttt -89.88 131.92 35.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.061 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 6.4 t -86.02 129.93 34.69 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 122.039 0.923 . . . . 0.0 111.5 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptm -79.98 5.39 14.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -118.22 -89.23 0.6 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.566 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.3 p -67.69 -17.17 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HE ' ' CE ' ' A' ' 41' ' ' MET . 47.0 ttt180 66.47 36.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.586 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -90.61 117.0 28.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.88 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.51 122.4 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.429 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.7 mmtp -151.92 170.52 19.65 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.787 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -90.07 -174.67 45.25 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -53.4 -7.87 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 50' ' ' GLY . 96.6 m-20 -69.31 -44.68 71.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.405 0.622 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 p -91.53 4.18 53.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 40' ' ' ILE . 5.4 m-85 -126.47 138.45 53.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.751 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 t -72.85 159.27 34.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.501 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.69 -39.8 89.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.3 m -62.53 -50.4 71.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -67.18 -45.17 77.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.446 ' HD1' HD11 ' A' ' 40' ' ' ILE . 70.8 t90 -62.66 -37.75 87.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 0.0 110.623 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 m -57.04 -14.45 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 73' ' ' VAL . 97.1 mttt -85.79 -11.39 53.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.7 p -65.27 -13.18 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.488 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -142.8 152.93 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -122.94 166.6 14.8 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.2 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.66 134.01 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.567 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 52.73 25.4 3.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.86 25.07 65.42 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.468 HH11 ' HD3' ' A' ' 69' ' ' ARG . 35.1 mtp-105 -132.07 152.92 50.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -81.9 125.13 30.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -131.25 132.84 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -68.38 141.16 55.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 75' ' ' ASP . 73.8 t -68.58 142.58 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.0 m -58.89 -43.66 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.501 ' H ' HG12 ' A' ' 73' ' ' VAL . 41.5 t0 -145.82 86.63 7.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.378 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.91 116.13 2.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.557 2.171 . . . . 0.0 111.974 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.34 95.35 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.439 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.21 162.83 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.69 144.82 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.453 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 4.3 p -89.02 163.34 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' GLN . 99.7 mtt180 -58.01 -52.02 67.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.453 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 4.6 p -49.25 -38.73 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m -82.72 -11.31 58.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ARG . 24.4 tt0 -109.42 71.59 0.51 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.739 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.18 -17.86 45.25 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.728 2.285 . . . . 0.0 111.781 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.83 140.63 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.323 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -170.44 16.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -66.9 -35.53 80.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 90' ' ' SER . 67.5 t0 -58.01 134.43 56.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 87.5 p -140.28 163.68 32.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.3 mt -126.29 131.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.205 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -80.62 126.81 31.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.4 t -104.22 135.75 45.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -98.56 -5.62 31.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.72 -20.76 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 74.7 m -113.01 -34.74 5.64 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 8.6 tt0 81.79 30.43 0.13 Allowed 'General case' 0 N--CA 1.461 0.097 0 O-C-N 123.444 0.465 . . . . 0.0 110.729 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -142.44 157.78 44.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.2 m -81.15 119.12 23.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -111.7 139.56 47.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.02 163.55 24.97 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.433 ' CG1' ' NH2' ' A' ' 110' ' ' ARG . 17.5 tt -74.68 -29.37 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.95 -42.2 97.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.785 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 15.5 pt-20 -82.62 16.8 2.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.94 137.6 53.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.426 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.5 p -84.23 171.97 12.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.506 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -72.31 -38.0 68.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.605 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.13 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.521 ' NE2' HG11 ' A' ' 121' ' ' VAL . 67.6 mt-30 -69.67 -9.18 53.25 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.227 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.433 ' NH2' ' CG1' ' A' ' 102' ' ' ILE . 39.3 ttm180 -89.65 -36.76 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.83 0.348 . . . . 0.0 110.585 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -71.16 -43.79 66.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -47.8 144.73 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.67 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.9 tp -65.16 -23.04 67.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -119.6 85.2 32.08 Favored Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.43 139.2 74.54 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -134.48 113.62 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.678 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.5 m -52.02 152.51 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.4 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.517 ' OE1' ' NE2' ' A' ' 109' ' ' GLN . 29.4 mm100 -48.3 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.821 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.7 mp -89.39 -61.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 1.4 p -59.84 -37.6 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.958 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.632 HG13 ' N ' ' A' ' 122' ' ' HIS . 10.6 p -71.9 -48.68 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.632 ' N ' HG13 ' A' ' 121' ' ' VAL . 55.2 t-80 -64.69 8.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.62 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 121' ' ' VAL . 8.0 t -111.38 -70.06 0.83 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.673 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -90.11 -5.12 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 54.26 -179.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.401 -179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.904 0.383 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.43 138.51 58.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.446 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 48' ' ' VAL . 5.8 mt -123.06 117.51 25.61 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.7 mm -96.41 128.6 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.72 133.97 38.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.71 135.27 34.02 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -88.51 -6.81 57.36 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 110.601 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.34 -60.85 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.8 p -107.5 20.2 19.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 40.84 36.88 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.027 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -108.08 134.38 51.04 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.294 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 39' ' ' LEU . 1.9 t -101.6 128.93 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.026 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -145.21 170.6 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.69 -175.0 36.88 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -54.25 -6.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -74.15 -55.29 6.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 9.38 17.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.497 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -123.2 127.55 48.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.435 ' CA ' ' HE ' ' A' ' 81' ' ' ARG . 31.1 t -59.73 148.78 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.64 -40.14 86.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.5 p -64.12 -46.7 83.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.658 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.418 HE22 HG13 ' A' ' 79' ' ' ILE . 86.8 mt-30 -67.75 -42.19 82.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.401 . . . . 0.0 110.736 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 62' ' ' THR . 74.2 t90 -62.46 -36.92 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -61.16 -30.7 70.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.48 ' O ' HG21 ' A' ' 73' ' ' VAL . 99.2 mttt -65.03 -7.56 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' TRP . 77.6 p -70.38 -18.48 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -144.5 153.43 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 71' ' ' VAL . 25.7 p -128.0 172.39 10.97 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.77 122.29 45.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.336 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ARG . 56.4 t -130.85 134.34 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.618 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 46.45 26.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.61 27.44 63.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' VAL . 61.3 ttt85 -133.2 133.68 43.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.905 0.383 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.6 m -64.42 131.39 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' THR . 11.0 m -138.22 141.22 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.657 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -82.13 132.78 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 61' ' ' LYS . 87.0 t -62.2 140.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.535 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -63.03 -42.23 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.469 ' H ' HG12 ' A' ' 73' ' ' VAL . 19.3 p-10 -149.25 83.54 6.54 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.562 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.53 118.69 3.58 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.725 2.283 . . . . 0.0 111.802 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -98.83 114.04 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 m -143.69 166.17 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.349 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HE22 ' A' ' 58' ' ' GLN . 10.0 pt -126.53 170.4 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.761 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 m -75.46 163.99 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.721 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HE ' ' CA ' ' A' ' 55' ' ' SER . 99.8 mtt180 -63.86 -35.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.425 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.443 ' H ' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -84.51 -25.67 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.649 0.261 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 132.52 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -79.0 127.48 32.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 15.1 t -104.26 136.37 43.99 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.212 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -4.05 29.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 93' ' ' CYS . . . -74.39 -39.06 62.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.747 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.41 -5.03 7.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 60.04 45.41 12.04 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.435 0.46 . . . . 0.0 111.001 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -75.99 133.02 40.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -138.09 148.8 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.42 172.68 54.53 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 pt -79.82 -11.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -66.61 -45.2 79.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.98 14.55 17.33 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.94 124.4 44.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.939 0.399 . . . . 0.0 110.394 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.419 ' H ' ' NE2' ' A' ' 109' ' ' GLN . 48.5 t -61.19 153.03 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -62.51 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.636 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.78 84.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.419 ' NE2' ' H ' ' A' ' 106' ' ' SER . 21.5 mt-30 -63.44 -24.25 67.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -80.74 -33.95 34.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -67.98 -45.76 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.332 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.49 160.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.514 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.3 mt -81.88 -11.15 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.741 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -133.37 77.82 64.89 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.077 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.83 142.96 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.762 2.308 . . . . 0.0 112.134 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -132.05 128.17 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.6 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.2 m -48.47 145.68 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.36 -19.87 39.09 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 119' ' ' ILE . 1.8 mp -90.23 -36.52 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.97 -37.3 85.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.065 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 122' ' ' HIS . 29.9 m -64.19 -38.32 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.665 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 122' ' ' HIS . 86.5 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.838 0.351 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 178.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.575 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.5 mt -137.13 109.74 7.49 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.236 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.41 145.5 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.479 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.4 mtp -80.77 143.39 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' C ' ' H ' ' A' ' 44' ' ' ARG . 52.5 t -83.49 119.74 25.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 mtm -54.03 -4.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.059 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 42' ' ' CYS . 9.8 mpt_? -112.84 -85.23 0.58 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.949 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.4 p -79.14 0.61 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 44.47 45.54 7.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.292 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -101.75 100.66 11.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.04 124.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.519 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -142.05 148.33 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.377 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.16 -179.79 28.67 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.4 -15.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.278 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.95 -49.67 23.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 110.786 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.59 6.0 45.56 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' C ' HH21 ' A' ' 81' ' ' ARG . 1.9 m-85 -127.79 139.71 52.49 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.303 0.573 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -64.74 150.82 46.62 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.836 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -62.0 -35.93 80.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.533 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -62.22 -48.71 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 54.5 mt-30 -67.65 -42.06 82.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -60.73 -38.23 84.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' PHE . 8.1 t -60.45 -20.58 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -79.04 -17.35 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.942 0.401 . . . . 0.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.7 p -70.7 -19.12 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.642 ' HA ' HG23 ' A' ' 73' ' ' VAL . 36.5 p90 -147.95 157.77 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.421 HG23 ' CG2' ' A' ' 73' ' ' VAL . 68.8 p -131.27 171.77 12.94 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.265 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -113.45 113.76 25.62 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.006 0.432 . . . . 0.0 109.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.8 m -133.79 148.3 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.637 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 53.21 18.78 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.455 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.02 25.4 69.18 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -136.46 143.12 43.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 0.0 110.623 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -68.27 126.62 30.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.237 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.97 133.87 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.004 0.431 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 p -77.36 149.79 35.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.293 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.763 HG12 ' H ' ' A' ' 75' ' ' ASP . 57.4 t -93.09 117.46 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -65.89 6.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.763 ' H ' HG12 ' A' ' 73' ' ' VAL . 32.6 t70 -141.87 67.78 23.24 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.507 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.11 85.24 1.71 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.698 2.266 . . . . 0.0 111.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -101.05 98.99 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.153 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.7 159.68 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 80' ' ' CYS . 84.2 mt -105.02 155.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.652 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.463 ' N ' HG22 ' A' ' 79' ' ' ILE . 14.2 p -86.28 164.22 17.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.932 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.465 HH21 ' C ' ' A' ' 54' ' ' TYR . 99.5 mtt180 -66.47 -23.47 66.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -72.79 -44.5 61.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 72.1 m . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.391 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.673 0.273 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -124.63 133.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.377 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 93' ' ' CYS . 8.5 t-105 -81.98 138.18 34.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.405 ' N ' ' CD1' ' A' ' 92' ' ' TRP . 13.8 t -113.96 133.3 55.56 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.5 p -89.9 -21.53 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.406 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.49 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.669 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.64 -22.88 14.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 69.05 35.24 2.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.06 162.06 39.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.5 m -78.93 139.19 38.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.364 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -134.26 140.46 46.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.398 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.35 157.97 31.96 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.8 tt -71.79 -31.49 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.38 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.64 -41.28 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -85.12 22.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.701 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -127.19 144.97 50.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.477 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -78.06 154.71 31.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.422 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -74.84 -40.56 60.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.038 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.69 80.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.769 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.898 ' O ' HG22 ' A' ' 112' ' ' VAL . 2.5 mp0 -58.81 -53.31 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.443 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -40.23 -23.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 110.773 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' GLN . 53.6 t-80 -67.49 -41.23 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 109' ' ' GLN . 17.7 m -66.76 164.55 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.1 mt -85.98 -7.45 58.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.8 p-10 -135.39 74.88 59.72 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.077 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.49 137.22 72.29 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.594 2.196 . . . . 0.0 111.964 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.471 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 54.3 mtm180 -124.36 133.6 53.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.574 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -61.49 151.91 31.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -55.99 -9.66 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' C ' ' A' ' 117' ' ' CYS . 5.4 mm -88.19 -39.62 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.983 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -75.25 -28.88 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.547 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -72.17 -40.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.943 0.402 . . . . 0.0 110.856 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 121' ' ' VAL . 44.0 t-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.651 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.67 145.96 50.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.114 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 49' ' ' LYS . 43.8 mt -114.84 128.06 56.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.193 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 40' ' ' ILE . 2.9 mp -107.59 127.65 63.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.499 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.4 ttt -87.52 132.02 34.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 t -81.84 123.99 29.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 ptm -69.07 1.43 3.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.811 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -111.35 -87.91 0.53 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.31 14.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' ARG . 35.9 mmt180 39.39 35.24 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.48 124.27 36.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -99.61 130.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.5 mmtt -161.63 171.79 17.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.992 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.99 -171.41 40.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 tt -52.04 -6.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.604 0.24 . . . . 0.0 111.367 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 50' ' ' GLY . 47.6 t0 -70.94 -48.71 51.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.775 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 p -89.05 4.09 49.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -123.76 135.15 53.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.904 0.383 . . . . 0.0 110.732 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -69.46 159.35 33.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.23 -42.12 94.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.173 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -50.2 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 89.2 mt-30 -64.51 -42.51 95.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.58 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -60.49 -22.47 63.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' HG21 ' A' ' 73' ' ' VAL . 98.5 mttt -77.73 -10.08 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.498 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -70.77 -17.0 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.811 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -144.29 155.41 43.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -120.06 170.69 9.06 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.67 121.17 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.07 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 63.7 t -126.66 127.32 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.888 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 41.5 35.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.69 29.43 63.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 66' ' ' VAL . 39.6 ttm180 -128.22 129.52 46.56 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 110.347 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -69.33 127.55 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 64' ' ' THR . 5.2 m -132.29 132.54 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.4 t -76.13 140.59 41.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 61' ' ' LYS . 67.8 t -70.0 141.65 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.331 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.9 p -69.8 -38.49 76.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 73' ' ' VAL . 52.4 t0 -144.6 80.47 11.71 Favored Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.78 117.87 3.7 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.523 2.149 . . . . 0.0 112.231 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -107.99 107.95 18.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -144.98 157.48 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.027 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 80' ' ' CYS . 94.8 mt -99.47 154.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.445 ' N ' HG22 ' A' ' 79' ' ' ILE . 13.8 p -82.57 170.06 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 110.943 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.66 -36.18 78.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.484 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.4 p -65.63 -35.09 79.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.191 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.252 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.823 0.344 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.9 mt -130.92 136.64 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.414 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -75.8 123.78 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.579 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.9 t -99.91 131.78 45.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.91 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.6 p -92.28 -11.01 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.155 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.84 -25.69 27.9 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 97.1 m -104.88 -37.92 6.83 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.647 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 81.88 35.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.622 -178.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -150.61 165.85 32.08 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 m -75.14 140.31 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.232 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -136.34 140.76 43.54 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.72 167.51 29.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.423 HD11 ' NH2' ' A' ' 110' ' ' ARG . 10.4 tp -78.84 -27.3 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.689 0.28 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 33.4 p-10 -61.2 -43.64 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.171 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 97.0 mt-10 -81.28 20.11 0.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 0.0 110.394 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.501 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.4 m-85 -134.67 148.45 50.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.544 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.2 m -93.56 173.42 7.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.315 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -76.61 -33.48 58.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.994 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.197 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 116' ' ' ARG . 5.1 mp0 -57.36 -21.97 39.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 110.197 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.423 ' NH2' HD11 ' A' ' 102' ' ' ILE . 97.7 mtt180 -72.79 -37.31 67.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.19 -44.52 91.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.31 149.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.1 mt -76.62 -11.5 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.715 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 20.7 p-10 -129.76 80.25 71.86 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.1 144.39 99.39 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.654 2.236 . . . . 0.0 111.84 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 42.2 mtm-85 -139.59 123.25 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.414 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.501 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 4.0 m -41.61 154.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.544 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.7 mm100 -57.91 -21.15 42.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mm -88.86 -20.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.62 -35.0 30.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.199 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 34.5 m -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 110.583 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 34.9 m80 . . . . . 0 C--O 1.234 0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.2 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.03 0.443 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' HD22 ' A' ' 39' ' ' LEU . . . -64.14 144.94 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 49' ' ' LYS . 4.4 mm? -112.57 125.38 54.2 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 HG21 ' A' ' 62' ' ' THR . 7.9 mm -93.49 126.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.571 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.9 ttt -81.91 131.04 35.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.427 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.56 127.17 33.91 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.517 0.675 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.513 ' O ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.8 -0.75 5.8 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.543 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -118.67 -76.64 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.602 0.239 . . . . 0.0 111.503 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.4 p -82.32 0.1 43.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 38.67 41.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HE2' ' HZ1' ' A' ' 49' ' ' LYS . 72.9 tttt -99.09 86.6 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.474 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.6 m -46.24 129.91 2.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 39' ' ' LEU . 11.8 mmtp -144.76 147.93 33.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.568 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.52 175.6 52.35 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 tt -52.88 -15.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.54 -45.51 65.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 111.205 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.41 4.3 54.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.452 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -121.65 133.34 54.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 147.62 34.98 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.43 -40.66 95.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.598 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -62.12 -47.32 85.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.66 -40.73 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -62.47 -37.06 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -62.92 -21.22 65.88 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.47 -10.83 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.426 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.515 HG21 HD12 ' A' ' 40' ' ' ILE . 50.9 p -75.55 -15.28 60.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.971 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HA ' HG23 ' A' ' 73' ' ' VAL . 44.6 p90 -148.38 159.25 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.4 p -128.75 172.66 11.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.62 116.68 32.37 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.66 132.3 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.064 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 45.1 33.73 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.282 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.52 73.29 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -132.14 133.04 43.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.865 0.364 . . . . 0.0 110.535 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.0 m -67.17 128.93 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' THR . 3.7 m -128.68 127.86 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.452 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 p -73.18 151.66 41.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 75' ' ' ASP . 58.7 t -99.42 117.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -71.89 19.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.752 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 73' ' ' VAL . 22.0 t70 -150.13 63.97 6.51 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.29 80.62 3.03 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.45 2.1 . . . . 0.0 111.625 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -101.94 95.1 6.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 109.806 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.29 163.87 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.009 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.78 123.62 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.1 p -65.1 169.93 4.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.81 -37.68 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 m -60.93 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.005 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.3 m . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 179.432 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.87 130.78 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -86.29 130.01 34.66 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.98 143.36 30.28 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.371 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 p -101.79 -12.49 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.979 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.19 -11.62 29.99 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -127.09 -5.83 6.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.161 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 50.06 26.25 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.033 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -132.13 142.67 49.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 40.4 m -91.74 129.67 37.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -127.97 159.99 33.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.67 170.99 45.25 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 102' ' ' ILE . 17.1 pt -73.46 -20.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.313 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.51 -41.51 98.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -90.7 18.53 6.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -129.56 147.26 51.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 t -75.81 152.8 37.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.431 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.93 -42.7 94.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.77 88.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 116' ' ' ARG . 88.3 mm-40 -62.17 -30.35 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -79.81 -21.89 43.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.593 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 14.6 t-80 -91.17 17.76 7.77 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 m -134.46 160.42 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.1 OUTLIER -89.0 36.15 0.81 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -163.33 59.39 0.82 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -67.4 138.75 47.29 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.194 1.929 . . . . 0.0 112.465 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.509 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mtt-85 -136.11 115.32 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.108 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -42.87 150.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.792 0.33 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -53.93 -9.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.79 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 117' ' ' CYS . 94.0 mt -88.89 -49.9 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.667 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.7 OUTLIER -63.71 -27.41 69.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.495 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 122' ' ' HIS . 13.6 m -71.1 -43.55 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.099 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 121' ' ' VAL . 68.7 m80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.901 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.906 0.384 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 143.25 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.67 111.38 15.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.09 133.12 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.421 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 ptm -82.58 135.8 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.26 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -82.05 118.42 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -64.52 -2.29 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.44 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -85.79 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 47' ' ' LYS . 28.2 p -109.69 4.76 22.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' CYS . 99.7 mtt180 55.5 41.31 30.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.409 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CD ' ' SG ' ' A' ' 45' ' ' CYS . 6.7 mtpm? -97.87 130.45 44.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.073 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -91.78 121.21 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.653 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -150.65 165.31 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.201 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -100.68 -168.77 28.69 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.28 -4.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.306 . . . . 0.0 111.619 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 50' ' ' GLY . 95.9 m-20 -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.627 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.72 5.74 20.34 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.509 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.94 125.94 48.71 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.918 0.39 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -63.24 155.09 29.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.989 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.0 p -60.71 -47.6 85.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -68.61 -51.58 40.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 62' ' ' THR . 76.2 t90 -55.65 -34.23 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 m -61.32 -34.87 75.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.198 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -7.38 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.456 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' TRP . 80.8 p -68.93 -19.97 64.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -139.37 148.77 43.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.12 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 71' ' ' VAL . 16.0 p -124.06 165.53 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.72 123.07 44.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.009 0.433 . . . . 0.0 110.335 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.48 135.43 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.226 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 52.7 23.8 2.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.957 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.29 17.55 66.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -130.51 150.49 51.69 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.687 0.28 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' THR . 13.4 t -80.92 131.9 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.513 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 64' ' ' THR . 3.2 m -129.94 128.48 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.906 0.384 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.6 p -63.95 128.83 37.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.073 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.57 134.68 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.149 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -60.2 -41.91 93.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.0 80.93 8.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.752 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.12 144.81 23.97 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.169 1.913 . . . . 0.0 112.002 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -116.74 115.73 26.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.95 165.28 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.44 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 80' ' ' CYS . 76.4 mt -124.98 163.9 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.397 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' N ' HG22 ' A' ' 79' ' ' ILE . 4.0 m -76.52 158.57 31.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.35 -37.7 88.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.249 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -74.35 -37.77 63.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.217 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.971 -179.664 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.4 mt -132.12 135.91 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -84.53 124.65 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 t -101.55 137.11 40.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 p -97.29 -12.06 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.37 24.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.81 -30.3 12.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 77.4 26.57 0.69 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -139.92 157.2 46.07 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.4 m -81.14 126.8 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -118.28 136.53 53.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.167 0.508 . . . . 0.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.05 168.73 23.87 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.98 -32.48 56.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 111.006 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -62.88 -41.17 99.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -79.82 10.39 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.08 140.1 52.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.527 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 26.9 m -80.84 165.58 21.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -75.19 -43.57 51.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.885 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.14 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 112' ' ' VAL . 2.7 mm100 -69.63 -61.14 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.795 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -56.56 -5.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 81.2 t60 -94.53 18.54 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.801 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 109' ' ' GLN . 3.3 m -130.58 164.36 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.345 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.7 -41.33 99.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.24 95.8 40.28 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.409 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -75.91 138.06 20.48 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.63 1.554 . . . . 0.0 112.351 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -126.73 128.82 47.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.758 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -56.39 149.23 17.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.527 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 5.6 mp0 -53.22 -10.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 117' ' ' CYS . 20.6 mm -88.14 -48.01 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -65.86 -31.43 72.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.947 -179.143 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.0 m -68.38 -40.66 82.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.053 0.454 . . . . 0.0 110.65 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.491 ' N ' HG23 ' A' ' 121' ' ' VAL . 5.1 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.193 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.915 0.388 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.08 154.38 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.298 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 49' ' ' LYS . 57.7 mt -119.09 127.2 53.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.64 131.05 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.451 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.5 ttt -81.21 130.1 34.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.454 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 44' ' ' ARG . 49.0 t -81.29 118.64 22.79 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 121.365 0.602 . . . . 0.0 110.716 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -62.6 -0.46 0.62 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.691 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 42' ' ' CYS . 12.2 tpt180 -109.62 -84.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.623 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.1 p -79.8 -3.3 47.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.837 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 52.77 42.13 31.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -102.42 93.69 5.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -57.39 120.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.224 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.477 ' CB ' ' OG ' ' A' ' 53' ' ' SER . 28.2 mmtp -139.72 164.22 30.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.4 -175.4 43.35 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -56.18 -5.85 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.093 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 26.6 p-10 -74.42 -50.5 18.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.88 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -91.3 1.69 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.83 129.44 55.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' HH21 ' A' ' 81' ' ' ARG . 41.7 t -59.7 152.65 22.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.192 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -57.59 -38.52 75.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -50.04 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 87.4 mt-30 -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.566 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 90.4 t90 -63.81 -39.37 94.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.2 p -70.82 -28.58 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -64.96 -28.39 69.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.538 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 70.1 p -66.62 -7.49 20.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.167 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.538 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 71.7 m-85 -119.59 141.89 48.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.983 0.42 . . . . 0.0 110.008 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -118.01 158.31 25.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.269 0.556 . . . . 0.0 110.002 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.08 135.54 43.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.516 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.0 p -139.83 133.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.619 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 42.88 26.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.46 28.67 38.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.8 mtt180 -131.04 149.38 52.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.7 m -86.15 123.08 31.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.38 135.75 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -66.31 145.07 56.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG22 HG23 ' A' ' 64' ' ' THR . 55.7 t -71.79 143.32 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.566 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.5 m -70.41 -44.68 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -138.78 80.8 24.27 Favored Pre-proline 0 N--CA 1.463 0.224 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.182 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.84 139.7 14.05 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.588 2.192 . . . . 0.0 112.434 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.1 110.57 11.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.328 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.18 164.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 60.8 mt -107.79 141.84 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -78.53 167.46 21.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.484 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.401 HH21 ' HA ' ' A' ' 55' ' ' SER . 93.4 mtt-85 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -71.87 -42.47 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.014 -179.494 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.87 0.367 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.8 mt -127.66 133.0 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -78.84 130.25 35.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.51 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.9 t -108.68 133.84 52.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.941 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -95.19 -13.17 25.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.89 -26.7 36.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.39 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -109.43 -29.67 8.32 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 75.09 31.86 0.81 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.423 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -143.39 159.51 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -77.76 134.81 37.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.449 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 8.7 tptp -132.66 141.77 48.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.56 160.63 23.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.6 tt -73.11 -33.54 42.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.87 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -58.84 -41.47 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.471 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 97.5 mt-10 -79.59 16.97 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -124.3 144.24 50.1 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.577 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.1 t -88.47 165.59 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.334 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.02 -45.59 77.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.23 90.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.542 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -59.48 -26.69 65.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.33 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -82.75 -30.08 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -66.25 -44.17 84.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.52 160.06 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 113' ' ' LEU . 9.4 mp -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.16 79.33 74.58 Favored Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.16 134.84 66.04 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.722 2.281 . . . . 0.0 112.431 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.466 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 45.3 mtt-85 -132.95 136.92 46.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.518 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.668 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -68.0 151.44 47.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -54.29 -9.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.554 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.44 -49.04 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.406 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.668 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -64.51 -28.74 69.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.809 -178.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.78 -30.61 12.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 82.5 t60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.419 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 p30 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.927 0.394 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 139.32 55.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -116.57 125.45 51.88 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.05 130.09 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -86.87 144.92 26.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 44' ' ' ARG . 36.3 t -80.45 121.31 25.57 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.928 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HG2' ' H ' ' A' ' 43' ' ' MET . 16.0 ptm -62.83 0.67 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.762 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 26.4 ttp180 -118.21 -72.47 0.69 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.06 -18.74 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.255 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 56.97 34.16 24.46 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -104.81 132.21 51.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.329 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.44 123.51 43.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -144.52 163.93 32.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.439 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -88.12 179.3 46.79 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.42 -4.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 50' ' ' GLY . 21.1 p-10 -74.47 -47.02 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.83 5.46 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.608 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -124.61 135.52 53.17 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.3 p -66.92 156.88 34.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.391 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -62.71 -41.56 99.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.3 m -62.72 -48.3 79.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.43 -42.19 88.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.529 ' O ' HG23 ' A' ' 62' ' ' THR . 80.2 t90 -68.01 -36.14 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.1 m -62.48 -31.44 72.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.97 -3.33 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' TRP . 64.3 p -74.06 -17.72 60.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.767 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.52 154.34 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -129.44 170.17 14.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.385 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.92 121.64 44.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.458 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ARG . 53.1 t -129.83 134.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.562 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 46.79 27.9 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.6 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.9 26.72 64.02 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' VAL . 78.9 ttt-85 -132.49 133.47 43.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 127.81 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.09 133.47 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.394 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.76 137.05 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.449 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.8 t -65.88 -42.06 90.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.06 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -139.71 82.33 18.23 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -81.42 117.83 3.15 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.645 2.23 . . . . 0.0 111.712 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -104.88 113.85 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.974 0.416 . . . . 0.0 110.389 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.2 m -150.15 158.27 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.392 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.467 HG22 ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -115.44 140.96 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.372 -179.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.491 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.3 p -54.52 168.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.72 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.38 -36.06 82.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.491 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 10.3 p -61.43 -22.4 64.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.545 ' SG ' ' CZ ' ' A' ' 44' ' ' ARG . 1.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.654 0.264 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.34 133.45 66.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.234 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -82.34 113.91 20.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.145 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.67 132.62 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -90.23 -18.41 25.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.3 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.96 -27.0 15.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.49 30.76 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -141.84 160.81 39.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -75.89 133.73 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -136.24 141.93 43.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.656 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.67 28.61 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.0 pt -80.76 -23.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 14.9 p30 -57.49 -42.38 82.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 89.1 mt-10 -86.19 28.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.49 143.9 50.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.175 0.512 . . . . 0.0 110.575 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.3 m -81.65 174.44 11.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.433 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.64 -36.38 82.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 112' ' ' VAL . . . -84.32 -46.69 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 35.8 mt-30 -48.82 -29.42 4.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.609 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -93.36 -10.89 33.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.509 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 72.6 t60 -125.38 18.28 8.23 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.542 HG22 ' N ' ' A' ' 113' ' ' LEU . 14.9 p -97.5 162.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' VAL . 14.0 mt -62.9 -39.14 93.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' H ' HG22 ' A' ' 112' ' ' VAL . 25.0 m-20 -123.57 80.75 54.44 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.193 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.75 130.35 36.76 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.123 2.549 . . . . 0.0 112.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 7.7 mtp180 -144.09 117.92 9.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.325 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -42.74 156.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.684 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.52 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 87.1 mt-30 -62.49 -9.99 10.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.664 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.29 -27.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.637 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -83.67 -26.85 29.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.328 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 m -79.54 -26.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 15.1 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.862 0.363 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.17 179.76 7.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 49' ' ' LYS . 58.8 mt -137.43 95.76 3.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.996 0.427 . . . . 0.0 110.732 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.03 138.49 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.1 ttt -77.03 140.61 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.21 138.66 33.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' MET . 5.5 ptt? -79.69 -3.02 45.5 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.36 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 46' ' ' ARG . 58.1 mtp180 -115.6 -88.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 19.7 p -66.32 6.63 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 44' ' ' ARG . 86.5 mtm-85 36.74 46.86 0.5 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.017 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 25.9 ttmt -115.17 123.69 49.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.439 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 ' H ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.97 131.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' NZ ' ' CD ' ' A' ' 47' ' ' LYS . 33.5 mttp -146.01 154.03 41.42 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -108.83 -177.12 21.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -52.93 -6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 50' ' ' GLY . 50.1 t0 -72.94 -56.29 5.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.93 0.395 . . . . 0.0 110.666 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -91.23 16.96 8.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.335 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.25 139.1 50.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 p -66.45 155.66 36.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.326 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.51 -39.35 94.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -63.49 -47.66 80.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.56 -39.45 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -62.2 -39.99 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' PHE . 37.7 m -59.38 -29.8 67.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.648 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' HG21 ' A' ' 73' ' ' VAL . 62.1 mttm -70.52 -12.15 61.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -75.55 -19.07 59.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 32.3 p90 -148.56 156.68 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 110.243 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 73' ' ' VAL . 22.2 p -130.4 168.92 16.19 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.97 123.95 47.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -134.43 136.68 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 51.23 22.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.2 25.06 64.66 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.57 133.76 38.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.509 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -60.9 128.84 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.205 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' THR . 16.3 m -136.81 153.0 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 t -86.34 137.52 32.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.684 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 64' ' ' THR . 20.2 t -60.83 154.08 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.5 m -61.41 -41.83 97.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.13 79.53 7.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.411 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -77.28 118.21 4.6 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.695 2.263 . . . . 0.0 111.906 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -125.02 125.79 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.16 148.1 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' ILE . 7.7 tt -94.27 127.41 46.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.6 p -64.7 161.6 17.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -67.17 -39.61 86.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 m -53.31 -40.09 64.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.491 HG12 HG22 ' A' ' 102' ' ' ILE . 5.1 mm -118.46 131.91 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.56 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TRP . 11.8 t90 -80.53 111.07 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -87.92 130.49 34.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.482 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -93.26 -9.12 40.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.17 -36.47 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.47 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 68.6 m -98.52 -26.8 14.31 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 71.25 35.16 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.355 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -146.23 161.31 40.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 79.1 m -79.59 138.78 37.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -142.41 146.92 35.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.75 165.91 36.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.491 HG22 HG12 ' A' ' 91' ' ' ILE . 32.9 pt -80.42 -16.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.824 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.18 -42.11 99.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.607 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -84.78 22.22 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.31 136.76 53.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.073 0.463 . . . . 0.0 110.685 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -75.64 167.2 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.364 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -63.27 -40.65 98.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.94 -41.65 82.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -57.11 -37.17 71.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.624 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -81.14 -11.04 59.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -96.63 -45.91 6.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.767 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.2 m -52.2 173.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 113' ' ' LEU . 10.3 mp -88.97 -11.58 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 12.4 p30 -133.75 77.99 62.21 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.313 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.75 147.42 92.26 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.894 2.396 . . . . 0.0 112.059 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -154.25 126.66 7.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.7 OUTLIER -47.35 147.95 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.44 -8.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.188 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -89.38 -28.18 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.034 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -82.01 -33.15 30.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.3 m -63.68 -37.22 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.45 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.43 ' N ' HG23 ' A' ' 121' ' ' VAL . 76.5 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.2 t0 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.811 0.339 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.38 176.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.42 117.56 14.43 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.5 mt -101.68 142.09 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.76 130.0 38.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 t -84.0 156.16 22.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.291 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -107.2 -9.14 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.366 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -101.47 -58.62 1.85 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 17.0 p -102.82 -3.91 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.764 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 56.1 31.98 19.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.494 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 17.7 ttmm -87.07 133.35 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.15 127.7 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -167.67 178.03 5.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.682 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.571 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.58 -167.51 35.19 Favored Glycine 0 CA--C 1.517 0.199 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -50.79 -4.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.826 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 50' ' ' GLY . 68.3 t0 -71.06 -53.69 13.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.11 6.74 43.75 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.76 139.9 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 p -67.82 160.12 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.49 -40.85 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.558 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -65.96 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -48.17 -42.83 30.7 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.39 0.614 . . . . 0.0 110.57 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -61.24 -38.42 86.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.408 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.9 m -79.02 -11.31 60.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.988 0.423 . . . . 0.0 111.074 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -78.49 -26.54 45.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.47 ' C ' HG23 ' A' ' 73' ' ' VAL . 65.6 p -75.41 10.89 1.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.15 149.99 50.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 0.0 110.395 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -134.89 158.46 44.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.252 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.09 122.5 44.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.486 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' ARG . 55.3 t -130.53 131.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 46.79 32.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.376 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.89 70.85 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' VAL . 79.5 ttt-85 -130.7 138.35 49.97 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.396 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.5 m -73.61 126.34 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.39 134.66 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m -70.08 149.23 47.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.47 HG23 ' C ' ' A' ' 62' ' ' THR . 92.7 t -82.6 128.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.1 p -66.87 -33.27 75.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -126.08 75.05 72.26 Favored Pre-proline 0 N--CA 1.466 0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HB2' HG22 ' A' ' 62' ' ' THR . 58.8 Cg_endo -80.06 111.15 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.644 2.229 . . . . 0.0 111.57 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -102.52 87.36 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.24 160.96 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.284 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 pt -117.32 167.72 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.769 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -78.04 166.65 22.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.874 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.11 -37.35 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -76.48 -27.23 56.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.777 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.328 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.486 HD11 HH11 ' A' ' 110' ' ' ARG . 96.1 mt -124.62 133.02 70.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -77.57 114.26 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.8 t -90.35 133.51 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.71 -10.27 34.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.656 0.265 . . . . 0.0 110.313 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.07 -26.57 22.47 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.612 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 90.5 m -100.42 -38.12 8.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.757 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 30.3 tt0 82.08 31.07 0.11 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.459 0.475 . . . . 0.0 110.283 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -151.45 167.66 27.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 m -76.01 137.27 40.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -135.64 140.58 44.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.65 164.97 25.16 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 tt -78.24 -24.03 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 110.809 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.14 -42.1 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.713 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.464 ' C ' HE22 ' A' ' 118' ' ' GLN . 72.7 mm-40 -81.94 22.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.717 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.674 ' CA ' HE22 ' A' ' 118' ' ' GLN . 2.0 m-85 -130.84 142.79 50.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.908 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -93.29 179.25 5.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.524 ' N ' ' OG ' ' A' ' 106' ' ' SER . 63.9 mttp -74.58 -39.48 62.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.136 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.05 86.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 9.7 mp0 -59.9 -37.91 80.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.303 0.573 . . . . 0.0 110.462 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.486 HH11 HD11 ' A' ' 91' ' ' ILE . 77.8 mtp85 -71.21 -38.69 72.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.87 -43.88 90.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.88 150.78 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.5 -12.94 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.48 81.72 67.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.2 144.52 95.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.808 2.339 . . . . 0.0 111.786 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -146.54 125.71 12.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' CYS . 3.5 m -41.73 145.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.605 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.674 HE22 ' CA ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -48.15 -29.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -80.35 -22.71 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' CYS . 99.4 m -80.98 -42.59 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 121' ' ' VAL . 2.4 p -76.35 -34.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 7.6 m-70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.255 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 66.3 t0 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.695 0.283 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 39' ' ' LEU . . . -106.62 126.29 52.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.355 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 38' ' ' ALA . 10.8 mp -113.83 137.13 52.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.146 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.04 132.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.5 ttp -83.75 136.0 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.77 143.93 52.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.07 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ptp -80.76 -5.98 57.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -120.13 -48.41 2.33 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.907 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 m -84.28 -20.62 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.699 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 58.24 24.42 11.44 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -105.12 136.31 44.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.687 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.8 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.18 144.93 35.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.19 172.87 28.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -43.72 -24.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.312 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 53' ' ' SER . 35.5 p-10 -73.99 -43.78 56.87 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.958 0.408 . . . . 0.0 111.026 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.2 m -93.73 8.54 40.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 131.71 53.5 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -57.08 144.48 34.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.069 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.0 -40.19 94.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.651 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 58' ' ' GLN . 25.2 p -58.77 -51.32 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 57' ' ' THR . 16.4 mp0 -67.29 -41.07 86.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.267 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -58.29 -38.31 76.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.5 t -63.11 -22.19 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 73' ' ' VAL . 65.7 mttm -84.45 -21.15 30.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 0.0 110.595 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 p -66.95 -1.92 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.631 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -160.81 166.53 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.1 p -134.1 169.55 16.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.18 130.65 55.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.427 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 5.7 p -140.92 137.88 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 43.52 21.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 82.48 29.93 34.82 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 88.9 mtm180 -134.84 132.57 38.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.639 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -68.51 132.57 47.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.471 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 64' ' ' THR . 6.8 m -132.79 133.91 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.965 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m -77.28 141.28 40.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 74' ' ' SER . 24.5 t -70.08 156.02 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.416 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 73' ' ' VAL . 10.7 t -67.52 -43.99 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.842 0.354 . . . . 0.0 111.01 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -148.31 80.34 8.55 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.307 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 117.58 4.17 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.436 2.09 . . . . 0.0 112.01 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -107.13 107.16 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.072 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.2 158.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.18 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.79 153.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.4 p -82.36 -175.1 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.644 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -74.44 -34.49 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 82' ' ' THR . 10.3 p -56.6 -49.43 74.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.245 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.812 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.704 0.287 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 105' ' ' PHE . 82.3 mt -130.03 134.16 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.663 ' CH2' HG22 ' A' ' 94' ' ' THR . 11.2 t90 -87.83 127.25 35.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.62 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.11 133.63 37.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' CH2' ' A' ' 92' ' ' TRP . 2.5 p -91.49 -9.65 43.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.508 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -93.89 -15.41 25.03 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.557 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.3 m -115.39 -20.08 10.44 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.56 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 60.46 29.07 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -134.79 152.65 51.93 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -81.53 130.89 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.517 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -127.13 139.69 52.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.03 165.55 5.46 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.52 -35.78 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.943 0.402 . . . . 0.0 110.79 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.34 -39.24 86.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.565 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.46 9.04 1.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.502 ' CB ' HD12 ' A' ' 91' ' ' ILE . 1.3 m-85 -129.09 148.85 51.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.683 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.3 t -88.6 171.2 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.338 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.76 -44.86 63.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.117 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 112' ' ' VAL . 81.5 mt-30 -56.95 -26.14 59.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -87.02 -15.88 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 0.0 110.331 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -90.27 17.87 6.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 109' ' ' GLN . 14.8 m -126.2 159.43 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 110.101 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 113' ' ' LEU . 4.0 mm? -64.0 -39.21 93.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD2' HG21 ' A' ' 94' ' ' THR . 7.7 t70 -120.35 85.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.78 141.92 92.2 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.492 2.128 . . . . 0.0 111.798 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -130.58 119.55 22.68 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.5 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 31.9 p -46.37 144.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' CA ' HE22 ' A' ' 109' ' ' GLN . 2.8 pt20 -52.48 -11.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.825 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.419 ' N ' ' C ' ' A' ' 117' ' ' CYS . 39.1 mm -88.42 -39.41 12.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.488 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.634 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 3.7 m -69.17 -33.64 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 122' ' ' HIS . 6.5 m -74.46 -40.25 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.715 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 14.9 t-80 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.8 t0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.49 173.57 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.706 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp -139.53 110.76 6.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.118 0.485 . . . . 0.0 110.032 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.5 mp -100.98 146.5 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.61 135.75 35.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.89 139.4 39.24 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.103 0.477 . . . . 0.0 110.157 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.2 ptm -77.67 -5.67 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.033 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -118.06 -85.37 0.65 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.154 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.7 p -66.28 -4.56 8.09 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.603 0.239 . . . . 0.0 111.518 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 48.06 36.5 6.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.46 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -91.72 127.22 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.061 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.22 114.15 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -149.08 170.78 17.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.384 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -106.13 -166.52 23.07 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -48.97 -7.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -71.09 -49.51 43.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.482 . . . . 0.0 110.011 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.5 m -87.64 4.61 43.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.872 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.87 142.02 51.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.039 0.447 . . . . 0.0 111.133 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.1 t -69.46 160.64 31.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.502 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.12 -41.27 98.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.901 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 m -62.85 -46.14 89.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.71 -48.47 74.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.013 0.435 . . . . 0.0 111.379 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' O ' ' OG1' ' A' ' 62' ' ' THR . 6.8 t-105 -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.25 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.3 p -66.67 -20.3 65.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -78.49 -20.05 51.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.369 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.519 ' OG1' ' CE2' ' A' ' 63' ' ' PHE . 72.5 p -71.65 -7.62 49.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CE2' ' OG1' ' A' ' 62' ' ' THR . 42.9 m-85 -124.78 146.13 49.38 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.971 0.415 . . . . 0.0 110.247 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.509 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -123.46 155.85 36.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.867 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 122.07 44.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.196 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -128.9 131.11 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.063 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 50.81 26.03 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.99 15.61 78.63 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -117.61 143.91 45.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.794 0.331 . . . . 0.0 110.355 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -77.89 123.62 26.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.214 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.02 134.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.2 p -69.64 147.23 50.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 64' ' ' THR . 96.3 t -70.45 141.89 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.384 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.9 p -66.76 -41.95 86.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.019 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' H ' HG12 ' A' ' 73' ' ' VAL . 1.9 m-20 -151.07 79.07 7.03 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.313 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 140.87 14.95 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.127 1.885 . . . . 0.0 112.535 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -120.73 109.86 15.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.16 148.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.12 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 80' ' ' CYS . 89.3 mt -87.9 153.3 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 79' ' ' ILE . 13.7 p -93.13 155.01 17.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -61.04 -29.77 69.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.085 0.469 . . . . 0.0 110.564 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 m -65.2 -38.02 89.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.389 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.476 -178.855 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.753 0.311 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.02 138.04 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -85.28 138.02 32.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.737 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 14.8 t -110.42 137.88 47.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -96.41 -12.41 24.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -84.38 -21.69 30.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.8 m -121.23 -10.98 8.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.57 35.55 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.207 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -141.47 155.87 45.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.737 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -86.36 140.68 29.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -135.97 147.49 48.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.456 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.97 165.25 26.34 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 tt -69.38 -32.72 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.37 -41.31 96.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.47 5.27 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -121.9 141.45 51.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.726 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -87.23 163.7 16.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.07 -37.49 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.62 88.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -75.88 -16.64 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.147 0.499 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.07 -20.55 44.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -85.86 -43.48 13.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.5 m -54.31 167.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.408 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 113' ' ' LEU . 7.4 mp -81.64 -15.63 53.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -131.22 79.18 71.08 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.4 140.71 95.58 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.451 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 91.3 mtt180 -129.13 141.13 51.28 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.89 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -66.06 145.19 56.14 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.827 0.346 . . . . 0.0 110.308 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -50.65 -10.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.478 ' H ' ' C ' ' A' ' 117' ' ' CYS . 81.5 mt -87.89 -49.44 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.7 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -64.02 -31.95 73.32 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.148 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -68.74 -41.4 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.604 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.497 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.8 t-80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.157 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 52.8 t0 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.92 138.27 49.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 40' ' ' ILE . 11.4 mt -105.55 127.31 52.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.5 mp -91.11 137.21 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.1 ttt -85.59 123.15 30.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.421 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 17.1 t -86.1 147.69 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptm -97.7 -8.02 29.6 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.92 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -87.55 -58.81 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.058 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -104.0 14.75 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.582 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 41.27 30.31 0.12 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.917 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -107.2 155.55 19.79 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.52 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.255 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -134.49 140.63 46.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.57 170.66 38.84 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 tt -45.71 -26.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -72.84 -40.22 65.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p -96.83 10.39 39.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.309 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.48 141.05 49.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.964 0.411 . . . . 0.0 110.701 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.0 t -60.84 148.97 37.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.119 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.14 -43.15 99.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.5 m -62.51 -49.49 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -60.31 -46.82 88.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -61.76 -38.32 87.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -72.67 -26.53 61.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.21 -12.66 61.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' VAL . 44.5 p -87.75 5.68 38.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.948 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.76 147.44 48.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 110.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 p -132.85 160.28 37.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.21 117.16 32.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.066 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.55 147.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.529 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 53.37 18.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.723 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.14 24.01 69.95 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -66.19 127.78 33.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.21 136.77 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.5 m -72.6 145.95 46.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 62' ' ' THR . 72.6 t -71.23 154.35 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.401 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 p -92.36 -34.27 14.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.709 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' N ' HG12 ' A' ' 73' ' ' VAL . 6.9 p-10 -128.08 70.67 78.57 Favored Pre-proline 0 N--CA 1.466 0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.165 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.67 89.52 1.11 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.743 2.295 . . . . 0.0 112.177 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 91.56 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.65 162.8 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.956 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 80' ' ' CYS . 87.2 mt -115.38 159.74 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.927 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 3.3 m -78.24 169.47 18.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -70.26 -35.58 73.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.402 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 p -82.95 -25.81 32.0 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.772 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.285 -179.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.724 0.297 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.465 HD11 ' HE ' ' A' ' 110' ' ' ARG . 96.7 mt -132.92 136.03 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -84.58 135.24 34.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -99.08 124.69 44.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 p -95.07 -10.43 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -73.7 -45.89 49.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.87 -6.3 14.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.96 38.96 3.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -129.16 141.06 51.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.0 m -81.22 133.39 35.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -135.89 146.29 47.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.68 167.25 54.48 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 102' ' ' ILE . 30.5 pt -72.34 -16.35 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.11 -42.38 84.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 44.4 mp0 -94.11 14.99 18.25 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.526 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.442 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -119.88 130.44 54.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.435 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.551 ' HG ' ' CD ' ' A' ' 109' ' ' GLN . 5.5 p -58.79 147.86 31.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.058 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -64.99 -41.14 95.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.96 73.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.551 ' CD ' ' HG ' ' A' ' 106' ' ' SER . 2.1 mp0 -63.34 -45.22 92.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.465 ' HE ' HD11 ' A' ' 91' ' ' ILE . 34.1 mtp180 -56.7 -3.08 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 109' ' ' GLN . 75.5 m80 -114.92 21.23 14.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.411 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 109' ' ' GLN . 2.0 m -127.21 158.73 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 113' ' ' LEU . 10.3 mp -64.7 -40.8 95.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.02 94.79 48.72 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.03 0.206 . . . . 0.0 110.507 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -77.57 130.7 10.94 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.432 2.088 . . . . 0.0 111.846 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.442 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 85.1 mtt85 -108.59 128.26 54.67 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.381 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.421 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.6 p -60.06 150.73 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -50.09 -14.99 0.18 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 117' ' ' CYS . 77.9 mt -88.34 -40.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.2 m -67.83 -36.16 79.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 122' ' ' HIS . 17.1 m -68.92 -36.55 74.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 84.6 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.645 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.926 0.393 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.72 141.38 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.442 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.01 125.07 52.52 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' ' CE1' ' A' ' 54' ' ' TYR . 31.6 mm -111.65 128.04 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 110.251 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -104.57 138.35 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.999 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -90.34 152.22 21.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 111.872 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -82.16 2.12 33.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.423 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -107.2 -93.14 0.4 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 110.664 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -7.75 44.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 59.28 38.82 23.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.331 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.521 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 21.3 mttm -78.8 126.85 31.26 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.64 123.7 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.681 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -168.37 177.2 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -81.46 -171.68 45.71 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.39 -3.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.193 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 50' ' ' GLY . 66.2 t0 -73.98 -54.51 7.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -78.71 3.38 16.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 40' ' ' ILE . 6.8 m-85 -126.65 137.6 53.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.094 0.473 . . . . 0.0 110.555 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.2 p -70.56 154.7 41.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.379 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 60' ' ' SER . 21.0 m -62.75 -48.4 79.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -70.02 -40.91 74.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 83.8 t90 -64.21 -36.37 83.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.699 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' THR . 91.1 p -61.79 -22.4 65.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.3 -5.25 46.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TRP . 47.6 p -67.48 -10.33 50.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HA ' HG23 ' A' ' 73' ' ' VAL . 25.0 p90 -145.95 155.46 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.435 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.4 p -125.78 175.61 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.982 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE1' ' OG1' ' A' ' 70' ' ' THR . 0.2 OUTLIER -120.99 144.06 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.155 -179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.2 t -132.16 124.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.871 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.578 HH21 ' NH1' ' A' ' 69' ' ' ARG . 49.7 ptt85 34.18 36.14 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.05 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.79 32.26 13.44 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.578 ' NH1' HH21 ' A' ' 67' ' ' ARG . 62.4 ttp180 -134.7 121.24 20.51 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.944 0.402 . . . . 0.0 110.719 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.507 ' OG1' ' CE1' ' A' ' 65' ' ' PHE . 25.5 m -72.83 128.69 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.44 141.15 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.9 m -78.34 141.22 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.55 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' A' ' 63' ' ' PHE . 83.0 t -73.83 134.98 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 m -65.42 -40.16 93.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.935 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.25 84.1 8.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.512 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.35 118.66 4.34 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.297 1.998 . . . . 0.0 111.998 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.21 103.11 14.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.61 164.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -119.98 128.21 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 83' ' ' CYS . 14.3 p -56.41 161.95 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.261 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -69.94 -22.71 63.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 p -80.33 -22.16 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.544 ' N ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER . . . . . 0 CA--C 1.528 0.117 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 121.009 0.433 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.2 mt -129.59 134.55 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -84.65 128.25 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.4 t -103.72 137.4 41.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.779 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p -98.76 -10.44 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.13 22.7 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -100.41 -31.79 11.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 79.22 26.77 0.42 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.11 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -140.82 156.56 46.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.2 m -85.28 138.88 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -135.59 146.84 48.36 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.312 0.577 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.33 169.04 50.18 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.024 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.05 -23.99 25.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.726 0.298 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -63.2 -42.77 99.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.144 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 80.0 mm-40 -88.83 13.91 11.51 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.44 139.11 54.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.495 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.6 m -77.49 161.9 27.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.408 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 107' ' ' LYS . 1.2 mptm? -70.06 -43.87 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -58.4 -26.03 62.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.21 0.528 . . . . 0.0 110.076 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -73.18 -37.24 66.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -60.57 -44.03 96.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.457 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 109' ' ' GLN . 34.2 m -67.17 146.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.308 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 113' ' ' LEU . 9.6 mp -66.16 -23.23 66.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.479 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -125.38 82.4 62.77 Favored Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.3 142.21 94.77 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.554 2.169 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.442 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 96.9 mtt180 -128.79 120.98 27.35 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.639 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -54.31 152.65 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.022 0.439 . . . . 0.0 110.747 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.495 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.6 mp0 -54.89 -10.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.01 -48.15 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.8 OUTLIER -66.78 -30.55 70.79 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.046 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.5 -35.69 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.749 0.309 . . . . 0.0 110.566 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.754 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.6 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -49.27 -179.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.202 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 49' ' ' LYS . 85.2 mt -139.53 109.44 6.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 0.0 110.229 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.52 150.08 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ttt -88.91 135.28 33.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.421 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.36 147.87 37.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.5 ptm -94.69 -6.64 42.77 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -107.81 -63.15 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.75 0.31 . . . . 0.0 111.599 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 19.4 p -95.49 -3.44 46.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 55.23 29.63 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.747 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 tttm -91.72 121.2 33.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.67 133.19 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.334 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.1 mmtt -168.08 172.54 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.926 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -103.85 -168.21 25.25 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 tt -50.42 -8.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.599 0.238 . . . . 0.0 111.459 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 50' ' ' GLY . 63.5 t0 -69.89 -46.88 64.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.751 0.31 . . . . 0.0 110.458 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.71 4.08 52.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.799 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.4 133.56 54.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 156.75 23.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.896 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -60.4 -40.46 91.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -62.37 -48.82 78.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 87.7 mt-30 -61.19 -44.57 97.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.73 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.42 -38.44 84.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.139 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 m -66.06 -20.57 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -79.3 -24.94 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.572 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.0 p -68.55 -7.22 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.62 177.91 4.53 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.648 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.02 150.77 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.8 135.26 49.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.07 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 69' ' ' ARG . 47.0 t -132.39 112.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.041 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 40.62 42.86 1.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.09 68.49 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.0 tpt180 -118.83 123.45 44.78 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.231 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -73.02 125.01 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.328 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.64 139.9 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.3 t -79.1 147.62 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' THR . 60.4 t -72.29 134.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.368 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -63.17 -44.45 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.25 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -147.5 79.78 9.43 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -80.2 149.32 19.56 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.494 2.129 . . . . 0.0 112.219 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -120.09 105.2 10.78 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.205 0.526 . . . . 0.0 110.465 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.98 159.68 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.36 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.531 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 11.9 pt -109.54 160.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.35 166.99 20.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -60.96 -39.74 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.4 p -63.48 -29.82 71.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.607 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -125.93 132.32 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.228 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.73 123.3 30.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.521 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.05 132.83 35.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -90.88 -12.66 35.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.38 -17.54 27.07 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.471 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.04 -11.25 8.92 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 55.08 36.31 26.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.709 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -141.64 157.09 45.52 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -83.39 137.9 33.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -136.9 146.47 45.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.165 0.507 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.31 167.08 44.15 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.4 pt -77.2 -20.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.734 0.302 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -65.21 -42.34 93.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 96.2 mt-10 -84.17 17.32 2.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.64 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.91 141.12 51.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.31 0.576 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -73.98 163.27 28.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.419 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.29 -27.81 67.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.58 -36.22 22.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -36.07 80.57 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -79.49 -8.43 59.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.439 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -94.03 -44.97 7.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.436 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.3 m -52.99 177.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.88 -15.7 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -133.84 77.65 62.58 Favored Pre-proline 0 C--N 1.332 -0.195 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.37 141.25 94.8 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.785 2.323 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -135.71 132.63 37.15 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.644 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.6 OUTLIER -60.76 150.81 31.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.493 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 7.6 mp0 -55.46 -10.21 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.167 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' N ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -87.81 -43.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.644 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -70.9 -30.56 66.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.972 -179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 122' ' ' HIS . 12.3 m -70.81 -38.09 71.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.83 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 35.2 m170 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.725 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 147.6 53.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 40' ' ' ILE . 18.6 mt -118.86 132.84 56.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.9 mp -107.51 140.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.3 ttt -95.92 122.09 38.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.427 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 t -70.56 137.18 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.229 0.538 . . . . 0.0 111.0 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 5.7 ptt? -82.78 6.43 18.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -123.65 -91.46 0.55 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.365 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.7 p -64.85 -10.13 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.499 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 56.05 36.46 27.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.825 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.03 108.75 19.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.007 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -82.83 117.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -153.79 175.85 12.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.608 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -96.52 -168.69 34.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -52.29 -7.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 49.6 t0 -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -91.21 2.05 56.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 5.6 m-85 -127.22 137.58 52.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -75.46 164.55 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.407 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.22 -37.4 87.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.2 m -59.92 -51.33 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -75.85 -42.3 49.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.92 -40.75 89.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 m -81.37 -9.17 59.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 63' ' ' PHE . 10.9 ttmm -79.22 -33.67 43.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.424 ' C ' HG23 ' A' ' 73' ' ' VAL . 34.6 p -68.99 10.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.5 m-85 -123.24 148.61 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.984 0.421 . . . . 0.0 110.271 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.7 p -128.96 159.21 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.251 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -109.01 115.47 30.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.11 148.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 54.45 18.96 2.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.22 24.35 66.27 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -134.19 162.52 31.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.396 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 m -86.96 126.74 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.19 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 64' ' ' THR . 22.7 m -134.48 152.53 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.568 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 p -78.55 159.5 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.452 HG22 HG23 ' A' ' 64' ' ' THR . 75.7 t -90.1 132.13 35.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.264 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.9 t -62.13 -43.4 98.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -132.08 80.42 64.52 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.731 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.42 137.86 13.47 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.589 2.193 . . . . 0.0 111.955 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -120.89 95.27 4.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.167 0.508 . . . . 0.0 110.745 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.38 167.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 167.13 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.541 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -79.71 157.02 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 90.5 mtm180 -55.66 -42.36 74.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.101 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 m -59.83 -39.98 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.413 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 120.692 0.282 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.66 129.11 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.011 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -79.35 112.41 16.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 5.4 t -89.17 134.52 33.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.351 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.52 -7.97 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.235 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -90.34 -11.19 41.38 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 96.8 m -122.55 -34.96 3.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.423 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.4 tp60 80.72 35.83 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.494 0.496 . . . . 0.0 110.24 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.615 ' NE2' ' NZ ' ' A' ' 100' ' ' LYS . 18.0 pt20 -150.62 167.1 28.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.522 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 141.21 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.615 ' NZ ' ' NE2' ' A' ' 98' ' ' GLN . 30.0 mmtm -136.91 144.96 43.75 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.977 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.32 168.3 54.81 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -80.67 -11.31 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.473 HD22 ' N ' ' A' ' 103' ' ' ASN . 1.5 m120 -64.9 -44.75 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.16 17.86 14.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.2 OUTLIER -123.13 136.78 54.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.018 0.437 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 m -67.59 149.28 50.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.408 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.42 -42.11 99.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.421 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.62 82.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.05 -17.95 59.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.587 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -84.53 -18.79 34.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -88.88 -40.41 13.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.293 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 m -55.61 152.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 0.0 110.599 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.18 -30.87 71.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.641 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -121.18 99.62 46.08 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.455 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.71 138.97 19.58 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.516 2.144 . . . . 0.0 112.074 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.93 126.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.445 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 66.9 m -43.1 142.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.524 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 3.3 tp-100 -45.47 -26.84 0.62 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 120' ' ' CYS . 10.5 tp -89.4 -37.49 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.57 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 5.7 m -53.46 -40.64 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.229 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.7 m -68.9 -39.72 80.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.494 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.435 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.2 m80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.676 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 53.8 t0 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.944 0.402 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.01 143.18 58.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.502 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -119.43 123.55 44.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 110.425 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.739 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.6 mp -94.62 140.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.7 ttt -87.62 122.69 31.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.578 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 43.9 t -85.12 110.0 18.66 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -63.03 -8.72 7.96 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.031 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -85.36 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.23 15.58 28.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.732 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.2 mtt-85 42.97 29.18 0.17 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -89.54 136.7 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.61 118.69 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -146.55 167.36 23.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.253 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.98 -176.53 42.39 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.213 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -49.63 -11.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.153 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 50' ' ' GLY . 64.4 t0 -66.84 -42.17 86.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.089 0.471 . . . . 0.0 110.551 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -100.23 7.15 44.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.921 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -125.48 136.7 53.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.173 0.511 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.3 t -69.05 150.6 47.45 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -58.95 -40.32 84.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.03 -49.85 74.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.13 -38.22 81.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -67.45 -38.95 85.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -61.6 -12.86 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.37 -9.88 57.02 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.6 p -66.77 -1.87 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -158.57 161.09 37.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.456 HG23 ' CG1' ' A' ' 73' ' ' VAL . 37.4 p -133.71 170.19 15.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.143 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 122.77 47.31 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 69' ' ' ARG . 57.9 t -130.73 132.65 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.328 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 46.92 28.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 25.42 66.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 66' ' ' VAL . 73.9 ttp85 -130.54 131.01 44.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.939 0.4 . . . . 0.0 110.593 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -65.55 129.48 39.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.289 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 64' ' ' THR . 6.3 m -133.92 135.06 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.4 p -81.26 133.23 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.321 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 73' ' ' VAL . 35.4 m -76.7 121.75 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -71.81 9.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.632 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 19.0 p-10 -148.89 68.14 9.55 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.33 89.36 1.32 Allowed 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.978 2.452 . . . . 0.0 111.389 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.24 91.89 6.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.7 160.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.079 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 80' ' ' CYS . 94.1 mt -104.18 156.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.492 ' N ' HG22 ' A' ' 79' ' ' ILE . 17.2 p -82.14 169.61 16.43 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -75.35 -23.61 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 m -68.99 -39.17 79.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.287 -179.521 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.845 0.355 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.62 132.55 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -81.77 123.78 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.306 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -91.93 132.61 36.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -91.55 -9.68 43.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.873 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 116' ' ' ARG . . . -93.26 -14.7 26.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.504 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.4 m -124.1 -10.58 7.6 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.273 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 55.18 38.6 30.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.77 162.24 38.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -86.04 143.03 28.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -137.64 145.6 42.88 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.197 0.522 . . . . 0.0 111.031 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 165.13 44.21 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.5 -23.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.279 . . . . 0.0 110.831 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.52 -41.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.148 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -83.5 14.9 3.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.756 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.2 m-85 -128.29 139.27 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.301 0.572 . . . . 0.0 110.689 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -86.64 174.28 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.533 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.85 -37.97 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.831 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.61 81.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 105' ' ' PHE . 36.0 mt-30 -58.27 -42.07 85.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -81.06 -22.2 39.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -69.11 -38.0 78.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.27 168.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.632 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.555 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -84.8 -9.0 58.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -133.97 77.91 61.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.63 141.26 96.81 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.961 2.441 . . . . 0.0 112.087 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 55.7 mtp85 -138.37 127.01 23.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.444 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.674 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -50.85 154.21 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.383 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.01 -10.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.897 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mm -88.95 -36.04 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.1 OUTLIER -77.42 -30.76 53.64 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 18.5 m -67.26 -38.61 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.3 m-70 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.728 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.967 0.413 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 137.2 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 40' ' ' ILE . 1.7 mp -111.2 132.97 53.9 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.003 0.43 . . . . 0.0 110.67 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.743 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.8 mp -96.84 152.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.7 ttt -94.5 129.49 41.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.1 137.74 43.48 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.36 0.6 . . . . 0.0 111.709 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.06 3.84 19.02 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' A' ' 46' ' ' ARG . 27.0 mmt180 -121.36 -90.52 0.58 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 p -66.09 2.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 44' ' ' ARG . 88.5 mtm180 41.32 35.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -95.16 114.36 26.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.371 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.95 114.53 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.357 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -138.93 164.38 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.35 -175.17 41.96 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 tt -49.93 -9.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 50' ' ' GLY . 30.1 t70 -67.99 -42.65 80.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -100.0 -2.04 35.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.77 126.02 54.36 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -58.06 156.31 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.266 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.63 -47.45 86.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.6 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.7 m -62.49 -44.59 96.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -54.17 -35.63 62.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -84.33 -16.77 41.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 63' ' ' PHE . 14.4 ttmm -68.6 -37.05 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 p -68.82 12.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 61' ' ' LYS . 80.9 m-85 -122.72 147.96 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -129.58 160.87 31.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.179 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.84 54.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.3 p -133.89 137.37 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.671 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 48.16 23.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.766 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.72 25.72 57.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' VAL . 36.7 mmt180 -127.11 149.37 49.97 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -81.07 124.39 29.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.365 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.52 137.49 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -74.53 149.68 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.06 130.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.256 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.0 p -69.09 -34.89 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.207 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -135.13 75.08 60.93 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.858 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -80.62 142.94 14.73 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.727 2.285 . . . . 0.0 111.954 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -129.11 100.7 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.01 156.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -104.47 118.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.42 166.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -76.55 -19.32 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -75.67 -25.78 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.404 -179.616 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -129.99 132.65 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.208 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -87.8 118.19 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.007 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.5 t -81.99 133.23 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.7 p -88.71 -16.48 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.581 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.619 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -86.29 -11.95 50.81 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.474 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.6 m -115.29 -35.32 4.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.332 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.7 tp60 80.26 28.89 0.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -141.84 159.18 42.76 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.972 0.415 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.4 m -78.33 128.14 33.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -121.08 138.24 54.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.89 155.06 21.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -69.19 -36.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.803 0.335 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.06 -40.45 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -81.23 19.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.18 152.46 47.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -91.09 160.99 15.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.154 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.62 -41.39 79.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.888 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.07 86.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.77 ' NE2' ' H ' ' A' ' 116' ' ' ARG . 2.6 mm100 -58.24 -23.93 57.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.362 0.601 . . . . 0.0 110.839 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -79.55 -25.75 41.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.44 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.31 -40.65 70.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.97 151.99 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.81 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.727 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -121.51 85.87 43.74 Favored Pre-proline 0 N--CA 1.465 0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.479 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.89 145.99 94.98 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.759 2.306 . . . . 0.0 111.976 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.77 ' H ' ' NE2' ' A' ' 109' ' ' GLN . 96.2 mtt180 -127.84 140.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.441 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.8 p -71.12 149.75 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -50.94 -12.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.625 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 117' ' ' CYS . 15.0 mm -89.28 -42.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.6 m -66.63 -33.32 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.4 m -72.67 -41.97 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.514 ' N ' HG23 ' A' ' 121' ' ' VAL . 36.5 m-70 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.434 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.017 0.437 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.08 134.48 38.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.653 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 40' ' ' ILE . 41.0 mt -126.98 118.76 25.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.22 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 40' ' ' ILE . 2.7 mp -102.82 138.99 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.438 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 ttp -91.53 136.98 32.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 36.9 t -79.72 141.37 36.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.675 0.75 . . . . 0.0 111.753 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 ppp? -81.22 -2.98 50.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -89.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 110.891 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.93 -0.9 3.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 79.4 mtp85 46.98 35.49 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -88.57 126.07 35.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.59 126.64 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.413 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.6 mmtt -161.99 172.99 15.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.194 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -93.35 -169.29 39.02 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.42 -5.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 50' ' ' GLY . 58.2 t0 -71.82 -48.35 46.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -92.38 -0.41 57.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.843 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.84 126.44 52.41 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -60.67 155.68 18.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.228 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.82 -43.2 99.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -63.57 -49.67 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.42 -41.63 96.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.499 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -63.08 -37.37 86.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 m -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.33 -20.42 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.514 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 58.3 p -76.59 -2.28 31.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 79.7 m-85 -123.41 145.31 48.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.972 0.415 . . . . 0.0 110.005 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 73' ' ' VAL . 16.1 p -127.78 158.61 37.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.138 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 120.31 40.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.497 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.49 132.21 68.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.344 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 50.91 27.53 3.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.79 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.0 18.77 78.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -122.79 145.04 48.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.587 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.6 m -77.46 124.0 27.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.224 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.89 134.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.504 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -69.83 141.26 53.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 64' ' ' THR . 73.6 t -66.35 138.66 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.268 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -69.73 -42.67 73.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.27 78.95 75.11 Favored Pre-proline 0 N--CA 1.465 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.37 112.9 3.27 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.574 2.182 . . . . 0.0 112.068 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -116.99 104.56 11.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 109.924 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 160.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 20.4 mm -102.65 114.76 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.5 p -54.84 162.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 84.8 mtm180 -55.06 -44.04 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.496 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -57.98 -45.3 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.747 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.294 179.596 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.771 0.32 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -126.75 136.58 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -78.6 126.83 31.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.66 134.98 48.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.149 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.9 p -88.68 -24.94 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.46 74.21 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -101.0 -18.16 16.41 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 57.96 32.61 22.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.12 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -144.2 163.78 32.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.9 m -72.79 133.86 44.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -129.2 133.09 47.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.565 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.95 160.47 15.3 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -72.84 -35.46 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.939 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -57.08 -40.65 77.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.343 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -84.41 29.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.426 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -138.27 158.11 44.94 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.687 -179.843 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -92.64 168.77 11.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -76.89 -42.11 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.79 74.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -54.43 -31.89 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.149 0.5 . . . . 0.0 110.334 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -77.74 -7.14 56.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -92.84 -38.31 11.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.47 157.27 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.345 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.82 -36.44 83.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.732 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -115.72 101.38 54.14 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.046 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.73 134.84 12.39 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 122.236 1.957 . . . . 0.0 111.811 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.444 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 81.5 mtt-85 -129.26 140.28 51.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.418 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 m -53.73 148.98 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.14 -20.07 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.1 mm -88.97 -20.03 7.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.4 m -83.5 -31.3 26.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 122' ' ' HIS . 33.7 m -76.09 -44.38 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.526 ' N ' HG23 ' A' ' 121' ' ' VAL . 32.3 m170 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.379 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.706 0.289 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.41 179.23 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.446 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 49' ' ' LYS . 83.1 mt -135.37 108.59 7.75 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.418 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.71 143.79 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 ttt -89.84 134.44 34.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -77.62 136.43 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ptm -79.39 3.41 18.45 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.549 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.47 -91.87 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 47' ' ' LYS . 30.2 p -63.84 -8.95 12.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.905 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 56.2 36.12 26.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 45' ' ' CYS . 40.3 mmtm -94.88 116.68 29.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.1 t -83.39 131.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.534 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' C ' HD23 ' A' ' 39' ' ' LEU . 6.1 tptm -168.8 178.19 4.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.404 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -105.64 -167.18 23.54 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.326 -0.709 . . . . 0.0 111.326 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.54 -2.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 50' ' ' GLY . 20.8 p-10 -72.67 -55.97 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.989 0.423 . . . . 0.0 110.592 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -96.05 4.69 52.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.468 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.91 121.23 40.86 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 28.9 t -41.02 142.49 0.49 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.625 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.46 -41.52 98.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.71 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -60.41 -42.11 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.64 -37.36 87.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.94 -40.7 89.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.989 0.423 . . . . 0.0 110.797 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -62.97 -23.53 67.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.82 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.66 -24.97 41.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 73' ' ' VAL . 63.5 p -67.77 -11.72 59.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -106.98 179.97 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -154.96 155.41 34.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.271 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 129.61 56.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.8 p -134.8 132.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 43.32 29.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.39 27.02 58.36 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.5 mtt180 -124.48 140.18 53.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.315 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -77.47 126.3 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 64' ' ' THR . 28.0 m -138.15 152.17 25.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.406 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -87.58 147.12 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 62' ' ' THR . 76.4 t -67.03 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 39.0 t -61.48 -44.49 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 74' ' ' SER . 29.4 m-20 -133.51 79.81 58.94 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.45 109.26 0.37 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.534 2.156 . . . . 0.0 112.158 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -115.95 94.65 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.534 0.683 . . . . 0.0 109.993 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.42 161.61 14.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.929 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.71 151.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.246 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.439 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.0 p -87.94 179.58 6.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.132 0.491 . . . . 0.0 110.802 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 99.7 mtt180 -66.96 -55.9 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.439 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 72.6 p -48.84 -45.69 41.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.77 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.734 179.483 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -126.69 130.03 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -85.69 111.47 20.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.9 t -73.89 132.82 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 p -89.42 -16.57 30.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.583 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -85.67 -11.57 53.46 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 85.0 m -117.05 -36.49 3.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.8 tt0 82.42 32.47 0.09 Allowed 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.617 0.573 . . . . 0.0 110.246 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -145.47 159.06 43.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -72.6 134.35 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 12.5 tptp -125.28 134.93 52.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.04 155.48 30.76 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.98 -36.51 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -56.3 -44.01 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.743 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 96.6 mt-10 -84.16 22.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.655 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -126.1 145.91 50.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.628 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 10.0 m -81.95 146.8 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.34 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.77 -39.02 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.782 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.23 89.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.938 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.2 mt-30 -63.41 -53.57 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -39.73 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 0.0 110.755 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 109' ' ' GLN . 78.6 t60 -65.99 -40.86 91.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.851 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.938 HG22 ' O ' ' A' ' 109' ' ' GLN . 20.5 m -61.16 157.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.733 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.22 -22.03 62.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 114' ' ' ASP . 26.0 p-10 -125.32 81.36 63.94 Favored Pre-proline 0 N--CA 1.467 0.386 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.364 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.73 142.59 82.65 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 111.97 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.47 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 96.1 mtt-85 -126.09 141.18 52.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 119' ' ' ILE . 25.3 p -75.16 153.52 38.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.532 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 95.5 mm-40 -50.88 -12.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.912 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.6 mp -89.97 -40.18 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.8 m -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.5 m -70.86 -42.06 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.703 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.518 ' N ' HG23 ' A' ' 121' ' ' VAL . 39.8 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.579 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 p30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.831 0.348 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.22 154.47 31.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 49' ' ' LYS . 35.9 mt -113.27 131.42 55.93 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.824 0.345 . . . . 0.0 110.215 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -101.0 127.77 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.485 ' CE ' ' HE ' ' A' ' 46' ' ' ARG . 24.0 ttt -89.88 131.92 35.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.061 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 6.4 t -86.02 129.93 34.69 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 122.039 0.923 . . . . 0.0 111.5 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptm -79.98 5.39 14.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -118.22 -89.23 0.6 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.566 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.3 p -67.69 -17.17 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HE ' ' CE ' ' A' ' 41' ' ' MET . 47.0 ttt180 66.47 36.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.586 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -90.61 117.0 28.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.88 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.51 122.4 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.429 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.7 mmtp -151.92 170.52 19.65 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.787 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -90.07 -174.67 45.25 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -53.4 -7.87 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 50' ' ' GLY . 96.6 m-20 -69.31 -44.68 71.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.405 0.622 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 p -91.53 4.18 53.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 40' ' ' ILE . 5.4 m-85 -126.47 138.45 53.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.751 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 t -72.85 159.27 34.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.501 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.69 -39.8 89.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.3 m -62.53 -50.4 71.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -67.18 -45.17 77.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.446 ' HD1' HD11 ' A' ' 40' ' ' ILE . 70.8 t90 -62.66 -37.75 87.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 0.0 110.623 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 m -57.04 -14.45 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 73' ' ' VAL . 97.1 mttt -85.79 -11.39 53.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.7 p -65.27 -13.18 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.488 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -142.8 152.93 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -122.94 166.6 14.8 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.2 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.66 134.01 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.567 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 52.73 25.4 3.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.86 25.07 65.42 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.468 HH11 ' HD3' ' A' ' 69' ' ' ARG . 35.1 mtp-105 -132.07 152.92 50.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -81.9 125.13 30.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -131.25 132.84 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -68.38 141.16 55.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 75' ' ' ASP . 73.8 t -68.58 142.58 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.0 m -58.89 -43.66 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.501 ' H ' HG12 ' A' ' 73' ' ' VAL . 41.5 t0 -145.82 86.63 7.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.378 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.91 116.13 2.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.557 2.171 . . . . 0.0 111.974 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.34 95.35 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.439 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.21 162.83 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.69 144.82 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 p -89.02 163.34 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.01 -52.02 67.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.733 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 82' ' ' THR . 4.6 p -49.25 -38.73 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.12 179.489 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.645 0.26 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.3 mt -126.29 131.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.205 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -80.62 126.81 31.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.4 t -104.22 135.75 45.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -98.56 -5.62 31.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.72 -20.76 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 74.7 m -113.01 -34.74 5.64 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 8.6 tt0 81.79 30.43 0.13 Allowed 'General case' 0 N--CA 1.461 0.097 0 O-C-N 123.444 0.465 . . . . 0.0 110.729 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -142.44 157.78 44.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.2 m -81.15 119.12 23.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -111.7 139.56 47.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.02 163.55 24.97 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.433 ' CG1' ' NH2' ' A' ' 110' ' ' ARG . 17.5 tt -74.68 -29.37 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.95 -42.2 97.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.785 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 15.5 pt-20 -82.62 16.8 2.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.94 137.6 53.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.426 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.5 p -84.23 171.97 12.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.506 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -72.31 -38.0 68.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.605 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.13 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 20.1 mt-30 -69.67 -9.18 53.25 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.227 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.433 ' NH2' ' CG1' ' A' ' 102' ' ' ILE . 39.3 ttm180 -89.65 -36.76 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.83 0.348 . . . . 0.0 110.585 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -71.16 -43.79 66.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -47.8 144.73 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.67 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.9 tp -65.16 -23.04 67.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -119.6 85.2 32.08 Favored Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.43 139.2 74.54 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.535 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 80.3 mtp85 -134.48 113.62 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.678 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.5 m -52.02 152.51 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.4 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mm-40 -48.3 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.821 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -89.39 -61.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 1.4 p -59.84 -37.6 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.958 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.632 HG13 ' N ' ' A' ' 122' ' ' HIS . 10.6 p -71.9 -48.68 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.632 ' N ' HG13 ' A' ' 121' ' ' VAL . 55.2 t-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.62 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.576 ' N ' ' SD ' ' A' ' 31' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.15 36.63 0.09 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.26 -45.36 93.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.528 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' H ' ' H ' ' A' ' 35' ' ' ASP . 51.1 p30 -164.35 -0.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 18.9 p-10 -86.97 2.09 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.56 6.03 42.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -90.58 11.39 22.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.43 138.51 58.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.446 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 48' ' ' VAL . 5.8 mt -123.06 117.51 25.61 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 110.379 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.7 mm -96.41 128.6 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ttt -77.72 133.97 38.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.283 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -91.71 135.27 34.02 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -88.51 -6.81 57.36 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 110.601 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.34 -60.85 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.8 p -107.5 20.2 19.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 40.84 36.88 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.027 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -108.08 134.38 51.04 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.294 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 39' ' ' LEU . 1.9 t -101.6 128.93 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.026 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -145.21 170.6 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.69 -175.0 36.88 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -54.25 -6.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -74.15 -55.29 6.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.23 9.38 17.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.497 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -123.2 127.55 48.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.435 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 31.1 t -59.73 148.78 32.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.123 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.64 -40.14 86.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.5 p -64.12 -46.7 83.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.658 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.418 HE22 HG13 ' A' ' 79' ' ' ILE . 86.8 mt-30 -67.75 -42.19 82.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.401 . . . . 0.0 110.736 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 62' ' ' THR . 74.2 t90 -62.46 -36.92 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 m -61.16 -30.7 70.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.48 ' O ' HG21 ' A' ' 73' ' ' VAL . 99.2 mttt -65.03 -7.56 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 59' ' ' TRP . 77.6 p -70.38 -18.48 63.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -144.5 153.43 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 71' ' ' VAL . 25.7 p -128.0 172.39 10.97 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.77 122.29 45.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.336 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ARG . 56.4 t -130.85 134.34 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.618 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 46.45 26.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.61 27.44 63.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 66' ' ' VAL . 61.3 ttt85 -133.2 133.68 43.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.905 0.383 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.6 m -64.42 131.39 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' THR . 11.0 m -138.22 141.22 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.657 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.6 m -82.13 132.78 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.384 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 61' ' ' LYS . 87.0 t -62.2 140.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.535 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -63.03 -42.23 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.469 ' H ' HG12 ' A' ' 73' ' ' VAL . 19.3 p-10 -149.25 83.54 6.54 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.562 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.53 118.69 3.58 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.725 2.283 . . . . 0.0 111.802 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -98.83 114.04 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 m -143.69 166.17 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.349 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HE22 ' A' ' 58' ' ' GLN . 10.0 pt -126.53 170.4 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.761 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 m -75.46 163.99 26.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.721 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HE ' ' N ' ' A' ' 55' ' ' SER . 99.8 mtt180 -63.86 -35.53 80.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.425 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -84.51 -25.67 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 m -67.42 -32.22 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -77.03 148.44 78.56 Favored Pre-proline 0 N--CA 1.453 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.09 153.75 74.17 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.608 2.206 . . . . 0.0 112.066 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -155.68 101.71 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.461 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -143.15 150.59 39.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.487 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -149.13 140.53 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.548 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -71.11 147.36 48.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.6 p -146.61 167.7 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.19 132.52 68.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -79.0 127.48 32.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 15.1 t -104.26 136.37 43.99 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.212 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -4.05 29.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 93' ' ' CYS . . . -74.39 -39.06 62.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.747 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.41 -5.03 7.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.276 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 60.04 45.41 12.04 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.435 0.46 . . . . 0.0 111.001 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -133.99 144.11 48.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.5 m -75.99 133.02 40.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.537 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -138.09 148.8 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.42 172.68 54.53 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 pt -79.82 -11.16 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -66.61 -45.2 79.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.98 14.55 17.33 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.94 124.4 44.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.939 0.399 . . . . 0.0 110.394 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.419 ' H ' ' NE2' ' A' ' 109' ' ' GLN . 48.5 t -61.19 153.03 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -62.51 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.636 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.78 84.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.419 ' NE2' ' H ' ' A' ' 106' ' ' SER . 21.5 mt-30 -63.44 -24.25 67.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -80.74 -33.95 34.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -67.98 -45.76 73.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.332 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -54.49 160.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.514 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 80.3 mt -81.88 -11.15 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.741 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -133.37 77.82 64.89 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.077 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.83 142.96 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.762 2.308 . . . . 0.0 112.134 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.506 ' NH1' ' OE1' ' A' ' 124' ' ' GLN . 97.0 mtt180 -132.05 128.17 37.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.6 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 12.2 m -48.47 145.68 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -58.36 -19.87 39.09 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.768 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.8 mp -90.23 -36.52 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.97 -37.3 85.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.065 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 122' ' ' HIS . 29.9 m -64.19 -38.32 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.665 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 86.5 t60 -81.55 3.24 25.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 m -110.29 -29.73 8.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.59 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.506 ' OE1' ' NH1' ' A' ' 116' ' ' ARG . 43.3 tt0 -95.99 2.98 53.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 110.339 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.4 ' O ' ' OXT' ' A' ' 126' ' ' ASN . 22.5 mmt85 58.34 3.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.566 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' A' ' 124' ' ' GLN . 64.5 t-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.713 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 ptp . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.44 -23.96 58.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -69.17 144.31 53.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.457 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 59.2 t-20 -76.65 143.65 39.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.512 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 65.0 m-20 -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.981 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -64.66 -41.56 96.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -99.19 15.8 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 178.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.575 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.5 mt -137.13 109.74 7.49 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.236 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mm -103.41 145.5 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.479 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.4 mtp -80.77 143.39 32.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' C ' ' H ' ' A' ' 44' ' ' ARG . 52.5 t -83.49 119.74 25.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 mtm -54.03 -4.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.059 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 42' ' ' CYS . 9.8 mpt_? -112.84 -85.23 0.58 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.011 0.434 . . . . 0.0 110.949 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.4 p -79.14 0.61 27.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 44.47 45.54 7.65 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.292 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -101.75 100.66 11.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.04 124.43 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.519 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -142.05 148.33 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.377 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.16 -179.79 28.67 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.4 -15.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.278 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.95 -49.67 23.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.059 0.457 . . . . 0.0 110.786 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.59 6.0 45.56 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.594 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' C ' HH21 ' A' ' 81' ' ' ARG . 1.9 m-85 -127.79 139.71 52.49 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.303 0.573 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -64.74 150.82 46.62 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.836 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -62.0 -35.93 80.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.533 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -62.22 -48.71 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 54.5 mt-30 -67.65 -42.06 82.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -60.73 -38.23 84.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.535 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' PHE . 8.1 t -60.45 -20.58 60.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -79.04 -17.35 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.942 0.401 . . . . 0.0 110.367 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.7 p -70.7 -19.12 62.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.642 ' HA ' HG23 ' A' ' 73' ' ' VAL . 36.5 p90 -147.95 157.77 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.421 HG23 ' CG2' ' A' ' 73' ' ' VAL . 68.8 p -131.27 171.77 12.94 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.265 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -113.45 113.76 25.62 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.006 0.432 . . . . 0.0 109.893 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.8 m -133.79 148.3 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.637 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 53.21 18.78 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.455 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.02 25.4 69.18 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -136.46 143.12 43.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 0.0 110.623 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -68.27 126.62 30.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.237 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.97 133.87 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.004 0.431 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 p -77.36 149.79 35.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.293 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.763 HG12 ' H ' ' A' ' 75' ' ' ASP . 57.4 t -93.09 117.46 36.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -65.89 6.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.763 ' H ' HG12 ' A' ' 73' ' ' VAL . 32.6 t70 -141.87 67.78 23.24 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.507 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.11 85.24 1.71 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.698 2.266 . . . . 0.0 111.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -101.05 98.99 9.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.153 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.7 159.68 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.24 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 80' ' ' CYS . 84.2 mt -105.02 155.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.652 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.463 ' N ' HG22 ' A' ' 79' ' ' ILE . 14.2 p -86.28 164.22 17.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.932 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.465 HH21 ' C ' ' A' ' 54' ' ' TYR . 99.5 mtt180 -66.47 -23.47 66.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -72.79 -44.5 61.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.905 0.383 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 72.1 m -84.22 -12.45 54.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 1.8 mm-40 -51.71 -62.38 3.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.099 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 27.4 Cg_endo -59.89 108.07 0.45 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.255 1.97 . . . . 0.0 111.959 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -135.75 76.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -138.22 143.17 40.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.395 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -149.21 85.68 1.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.286 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -65.39 127.64 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.147 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 p -137.27 158.01 45.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -124.63 133.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.377 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.405 ' CD1' ' N ' ' A' ' 93' ' ' CYS . 8.5 t-105 -81.98 138.18 34.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.405 ' N ' ' CD1' ' A' ' 92' ' ' TRP . 13.8 t -113.96 133.3 55.56 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.5 p -89.9 -21.53 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.406 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.55 -37.49 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.669 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.64 -22.88 14.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 69.05 35.24 2.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.06 162.06 39.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.5 m -78.93 139.19 38.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.364 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -134.26 140.46 46.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.398 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.35 157.97 31.96 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.8 tt -71.79 -31.49 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.38 . . . . 0.0 110.907 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.64 -41.28 94.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.491 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -85.12 22.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.701 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -127.19 144.97 50.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.122 0.487 . . . . 0.0 110.477 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.7 t -78.06 154.71 31.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.422 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -74.84 -40.56 60.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.038 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.69 80.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.769 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.898 ' O ' HG22 ' A' ' 112' ' ' VAL . 2.5 mp0 -58.81 -53.31 59.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.443 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -40.23 -23.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.968 0.413 . . . . 0.0 110.773 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' GLN . 53.6 t-80 -67.49 -41.23 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.898 HG22 ' O ' ' A' ' 109' ' ' GLN . 17.7 m -66.76 164.55 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.1 mt -85.98 -7.45 58.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.8 p-10 -135.39 74.88 59.72 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.077 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.49 137.22 72.29 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.594 2.196 . . . . 0.0 111.964 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.476 ' NH1' ' O ' ' A' ' 125' ' ' ARG . 54.3 mtm180 -124.36 133.6 53.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.574 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -61.49 151.91 31.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -55.99 -9.66 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' C ' ' A' ' 117' ' ' CYS . 5.4 mm -88.19 -39.62 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.983 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -75.25 -28.88 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.729 0.299 . . . . 0.0 110.547 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -72.17 -40.37 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.943 0.402 . . . . 0.0 110.856 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 121' ' ' VAL . 44.0 t-80 -82.47 -1.84 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.651 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 t -87.02 -70.59 0.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 126' ' ' ASN . 78.9 mt-30 -140.19 37.74 1.92 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.476 ' O ' ' NH1' ' A' ' 116' ' ' ARG . 84.8 mtp180 44.57 -96.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.708 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' GLN . 98.7 m-20 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.522 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.16 23.81 67.73 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -127.1 144.08 51.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.661 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.69 161.89 29.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -61.84 -41.17 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 38' ' ' ALA . 12.2 m120 -64.59 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.365 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -64.4 5.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -61.67 145.96 50.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.114 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 49' ' ' LYS . 43.8 mt -114.84 128.06 56.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.193 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 40' ' ' ILE . 2.9 mp -107.59 127.65 63.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.499 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.4 ttt -87.52 132.02 34.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 t -81.84 123.99 29.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 ptm -69.07 1.43 3.55 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.811 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -111.35 -87.91 0.53 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.999 0.428 . . . . 0.0 111.41 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.9 p -71.31 14.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.096 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' ARG . 35.9 mmt180 39.39 35.24 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.48 124.27 36.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -99.61 130.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.5 mmtt -161.63 171.79 17.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.992 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.99 -171.41 40.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 tt -52.04 -6.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.604 0.24 . . . . 0.0 111.367 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 50' ' ' GLY . 47.6 t0 -70.94 -48.71 51.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.868 0.366 . . . . 0.0 110.775 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 p -89.05 4.09 49.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -123.76 135.15 53.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.904 0.383 . . . . 0.0 110.732 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -69.46 159.35 33.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.23 -42.12 94.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.173 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -50.2 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.696 ' NE2' HE22 ' A' ' 84' ' ' GLN . 89.2 mt-30 -64.51 -42.51 95.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.703 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.413 ' CH2' ' ND2' ' A' ' 36' ' ' ASN . 56.6 t90 -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.58 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -60.49 -22.47 63.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' O ' HG21 ' A' ' 73' ' ' VAL . 98.5 mttt -77.73 -10.08 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.498 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.7 p -70.77 -17.0 62.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.811 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -144.29 155.41 43.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -120.06 170.69 9.06 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.67 121.17 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.07 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 63.7 t -126.66 127.32 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.888 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 41.5 35.22 0.43 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.69 29.43 63.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 66' ' ' VAL . 39.6 ttm180 -128.22 129.52 46.56 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 110.347 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.5 m -69.33 127.55 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 64' ' ' THR . 5.2 m -132.29 132.54 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.4 t -76.13 140.59 41.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.595 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 61' ' ' LYS . 67.8 t -70.0 141.65 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.331 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.9 p -69.8 -38.49 76.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 73' ' ' VAL . 52.4 t0 -144.6 80.47 11.71 Favored Pre-proline 0 N--CA 1.467 0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.78 117.87 3.7 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.523 2.149 . . . . 0.0 112.231 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -107.99 107.95 18.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -144.98 157.48 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.027 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 80' ' ' CYS . 94.8 mt -99.47 154.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.497 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 13.8 p -82.57 170.06 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.02 0.438 . . . . 0.0 110.943 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -68.66 -36.18 78.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.484 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.497 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 36.4 p -65.63 -35.09 79.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.191 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.1 m -73.89 -5.01 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.696 HE22 ' NE2' ' A' ' 58' ' ' GLN . 81.2 mt-30 -116.68 76.01 7.34 Favored Pre-proline 0 N--CA 1.468 0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.497 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.49 26.99 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.411 2.074 . . . . 0.0 112.073 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 84' ' ' GLN . 87.6 tttt -60.65 -38.72 85.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.327 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -80.33 132.36 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -86.27 12.96 8.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 90' ' ' SER . 38.7 p30 -63.48 -26.18 68.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.534 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 30.3 p -140.89 156.72 46.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.424 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.9 mt -130.92 136.64 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.414 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -75.8 123.78 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.579 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.9 t -99.91 131.78 45.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.91 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.6 p -92.28 -11.01 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.155 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.84 -25.69 27.9 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 97.1 m -104.88 -37.92 6.83 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.647 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 81.88 35.2 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.622 -178.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -150.61 165.85 32.08 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.095 0.474 . . . . 0.0 110.669 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 m -75.14 140.31 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.232 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -136.34 140.76 43.54 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.72 167.51 29.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.423 HD11 ' NH2' ' A' ' 110' ' ' ARG . 10.4 tp -78.84 -27.3 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.689 0.28 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 33.4 p-10 -61.2 -43.64 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.171 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 97.0 mt-10 -81.28 20.11 0.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 0.0 110.394 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.501 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 1.4 m-85 -134.67 148.45 50.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.544 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.2 m -93.56 173.42 7.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.315 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -76.61 -33.48 58.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.994 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.197 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 116' ' ' ARG . 5.1 mp0 -57.36 -21.97 39.39 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 110.197 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.423 ' NH2' HD11 ' A' ' 102' ' ' ILE . 97.7 mtt180 -72.79 -37.31 67.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -64.19 -44.52 91.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.31 149.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.1 mt -76.62 -11.5 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.715 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 20.7 p-10 -129.76 80.25 71.86 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.1 144.39 99.39 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.654 2.236 . . . . 0.0 111.84 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 42.2 mtm-85 -139.59 123.25 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.414 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.501 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 4.0 m -41.61 154.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.544 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.7 mm100 -57.91 -21.15 42.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mm -88.86 -20.07 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.62 -35.0 30.55 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.199 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 34.5 m -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.878 0.37 . . . . 0.0 110.583 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 34.9 m80 -85.97 9.8 15.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.2 t -93.77 -55.73 3.14 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.546 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 126' ' ' ASN . 18.6 pt20 -141.84 22.67 2.11 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.733 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 48.61 -94.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 124' ' ' GLN . 28.2 p30 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.602 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.51 -69.84 0.19 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -81.0 -13.06 59.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.887 0.375 . . . . 0.0 110.637 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.728 HD22 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -150.63 81.2 1.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -72.68 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.509 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.13 -1.66 57.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -89.65 13.98 12.8 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.257 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' HD22 ' A' ' 39' ' ' LEU . . . -64.14 144.94 56.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 49' ' ' LYS . 4.4 mm? -112.57 125.38 54.2 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HD12 HG21 ' A' ' 62' ' ' THR . 7.9 mm -93.49 126.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.571 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.9 ttt -81.91 131.04 35.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.427 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 t -84.56 127.17 33.91 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.517 0.675 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.513 ' O ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.8 -0.75 5.8 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.543 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -118.67 -76.64 0.57 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.602 0.239 . . . . 0.0 111.503 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.4 p -82.32 0.1 43.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.666 0.269 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 38.67 41.77 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HE2' ' HZ1' ' A' ' 49' ' ' LYS . 72.9 tttt -99.09 86.6 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.474 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.6 m -46.24 129.91 2.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.286 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 39' ' ' LEU . 11.8 mmtp -144.76 147.93 33.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.568 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.52 175.6 52.35 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 tt -52.88 -15.75 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.54 -45.51 65.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.083 0.468 . . . . 0.0 111.205 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.41 4.3 54.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.452 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -121.65 133.34 54.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 147.62 34.98 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.43 -40.66 95.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.598 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -62.12 -47.32 85.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -65.66 -40.73 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -62.47 -37.06 84.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.4 t -62.92 -21.22 65.88 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.47 -10.83 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.426 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.515 HG21 HD12 ' A' ' 40' ' ' ILE . 50.9 p -75.55 -15.28 60.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.971 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HA ' HG23 ' A' ' 73' ' ' VAL . 44.6 p90 -148.38 159.25 44.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.4 p -128.75 172.66 11.04 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.62 116.68 32.37 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.66 132.3 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.064 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 45.1 33.73 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.282 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.52 73.29 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -132.14 133.04 43.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.865 0.364 . . . . 0.0 110.535 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.0 m -67.17 128.93 38.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' THR . 3.7 m -128.68 127.86 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.452 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 p -73.18 151.66 41.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.647 HG12 ' H ' ' A' ' 75' ' ' ASP . 58.7 t -99.42 117.15 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -71.89 19.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.752 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.647 ' H ' HG12 ' A' ' 73' ' ' VAL . 22.0 t70 -150.13 63.97 6.51 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.29 80.62 3.03 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.45 2.1 . . . . 0.0 111.625 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -101.94 95.1 6.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.15 0.5 . . . . 0.0 109.806 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.29 163.87 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.009 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mm -101.78 123.62 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.1 p -65.1 169.93 4.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.861 0.362 . . . . 0.0 111.206 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.81 -37.68 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.5 m -60.93 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.005 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.2 -10.24 59.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.688 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -78.26 131.15 69.84 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.625 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -72.3 160.67 46.47 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.887 1.725 . . . . 0.0 112.097 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -44.42 142.4 1.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.622 ' CD ' ' H ' ' A' ' 87' ' ' GLN . 1.5 pm0 -43.74 135.11 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -66.22 -38.33 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -153.43 177.91 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.434 ' OG ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t -136.47 157.65 46.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.471 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.8 mt -127.87 130.78 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -86.29 130.01 34.66 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.98 143.36 30.28 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.371 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 p -101.79 -12.49 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.979 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.19 -11.62 29.99 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.9 m -127.09 -5.83 6.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.889 0.376 . . . . 0.0 110.161 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 50.06 26.25 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.033 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -132.13 142.67 49.57 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.042 0.448 . . . . 0.0 110.559 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' OG ' ' A' ' 90' ' ' SER . 40.4 m -91.74 129.67 37.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -127.97 159.99 33.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.67 170.99 45.25 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 102' ' ' ILE . 17.1 pt -73.46 -20.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.758 0.313 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.51 -41.51 98.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -90.7 18.53 6.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.9 OUTLIER -129.56 147.26 51.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.1 t -75.81 152.8 37.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.431 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.93 -42.7 94.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.77 88.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.509 ' OE1' ' N ' ' A' ' 116' ' ' ARG . 88.3 mm-40 -62.17 -30.35 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.582 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -79.81 -21.89 43.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.593 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 14.6 t-80 -91.17 17.76 7.77 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.0 m -134.46 160.42 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.944 0.402 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.1 OUTLIER -89.0 36.15 0.81 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.944 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -163.33 59.39 0.82 Allowed Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -67.4 138.75 47.29 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.194 1.929 . . . . 0.0 112.465 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.509 ' N ' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mtt-85 -136.11 115.32 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.108 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -42.87 150.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.792 0.33 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -53.93 -9.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.79 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 117' ' ' CYS . 94.0 mt -88.89 -49.9 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.667 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.7 OUTLIER -63.71 -27.41 69.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.495 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 122' ' ' HIS . 13.6 m -71.1 -43.55 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.099 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 121' ' ' VAL . 68.7 m80 -80.64 -3.11 49.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.901 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -106.84 -65.49 1.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.2 28.14 1.99 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 54.59 -169.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.562 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtp . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.02 37.28 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.86 135.28 54.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -91.95 135.95 33.55 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -86.93 -4.9 59.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' C ' ' H ' ' A' ' 38' ' ' ALA . 97.2 m-20 -89.94 8.84 30.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.29 19.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -62.65 143.25 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.67 111.38 15.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.09 133.12 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.421 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 ptm -82.58 135.8 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.26 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -82.05 118.42 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -64.52 -2.29 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.44 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -85.79 -61.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 47' ' ' LYS . 28.2 p -109.69 4.76 22.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 42' ' ' CYS . 99.7 mtt180 55.5 41.31 30.96 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.409 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' CD ' ' SG ' ' A' ' 45' ' ' CYS . 6.7 mtpm? -97.87 130.45 44.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.073 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.6 t -91.78 121.21 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.653 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -150.65 165.31 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.201 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -100.68 -168.77 28.69 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.28 -4.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.744 0.306 . . . . 0.0 111.619 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 50' ' ' GLY . 95.9 m-20 -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.627 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.72 5.74 20.34 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.509 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -120.94 125.94 48.71 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.918 0.39 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -63.24 155.09 29.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.989 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.72 -41.07 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.0 p -60.71 -47.6 85.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.494 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -68.61 -51.58 40.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 62' ' ' THR . 76.2 t90 -55.65 -34.23 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.402 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.8 m -61.32 -34.87 75.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.198 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -7.38 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.456 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' TRP . 80.8 p -68.93 -19.97 64.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -139.37 148.77 43.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.12 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 71' ' ' VAL . 16.0 p -124.06 165.53 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.059 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.72 123.07 44.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.009 0.433 . . . . 0.0 110.335 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.48 135.43 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.226 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 52.7 23.8 2.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.957 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.29 17.55 66.5 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -130.51 150.49 51.69 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.687 0.28 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 70' ' ' THR . 13.4 t -80.92 131.9 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.513 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 64' ' ' THR . 3.2 m -129.94 128.48 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.906 0.384 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.6 p -63.95 128.83 37.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.073 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.57 134.68 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.149 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -60.2 -41.91 93.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.0 80.93 8.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.752 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.12 144.81 23.97 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.169 1.913 . . . . 0.0 112.002 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -116.74 115.73 26.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.95 165.28 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.44 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 80' ' ' CYS . 76.4 mt -124.98 163.9 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.397 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.554 ' N ' HG22 ' A' ' 79' ' ' ILE . 4.0 m -76.52 158.57 31.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -64.35 -37.7 88.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.249 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p -74.35 -37.77 63.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.217 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.32 -30.08 66.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.971 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -45.16 150.42 0.79 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -42.98 161.35 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 112.296 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -63.11 136.66 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -146.28 -22.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.454 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -105.21 105.59 15.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' ILE . 40.2 p-10 -88.98 -0.21 57.21 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 p -133.1 149.86 52.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.394 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.4 mt -132.12 135.91 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -84.53 124.65 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.516 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 t -101.55 137.11 40.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.593 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 p -97.29 -12.06 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.37 24.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.639 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.81 -30.3 12.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.384 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 77.4 26.57 0.69 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -139.92 157.2 46.07 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.4 m -81.14 126.8 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -118.28 136.53 53.64 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.167 0.508 . . . . 0.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.05 168.73 23.87 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 89' ' ' ASP . 20.5 tt -67.98 -32.48 56.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.858 0.361 . . . . 0.0 111.006 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -62.88 -41.17 99.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -79.82 10.39 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.08 140.1 52.92 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.527 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 26.9 m -80.84 165.58 21.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -75.19 -43.57 51.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.885 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.14 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 112' ' ' VAL . 2.7 mm100 -69.63 -61.14 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.795 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -56.56 -5.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 81.2 t60 -94.53 18.54 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.801 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 109' ' ' GLN . 3.3 m -130.58 164.36 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.345 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.7 -41.33 99.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.24 95.8 40.28 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.409 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -75.91 138.06 20.48 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.63 1.554 . . . . 0.0 112.351 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -126.73 128.82 47.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.758 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.646 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -56.39 149.23 17.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.527 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 5.6 mp0 -53.22 -10.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 117' ' ' CYS . 20.6 mm -88.14 -48.01 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -65.86 -31.43 72.37 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.947 -179.143 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.0 m -68.38 -40.66 82.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.053 0.454 . . . . 0.0 110.65 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.491 ' N ' HG23 ' A' ' 121' ' ' VAL . 5.1 t60 -45.52 -52.98 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.193 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 p -91.12 -51.68 5.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.682 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -90.78 40.44 1.02 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.708 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' VAL . 52.9 ptt85 -42.15 141.28 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.672 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 56.6 p30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.526 ' N ' ' SD ' ' A' ' 31' ' ' MET . 4.6 mpp? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.07 12.43 76.68 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -133.8 120.71 20.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.863 0.364 . . . . 0.0 110.559 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 54.61 31.2 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.07 -48.53 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' ALA . 85.8 m-20 -65.06 -37.15 86.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.473 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -69.36 8.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -72.08 154.38 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.298 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 49' ' ' LYS . 57.7 mt -119.09 127.2 53.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.453 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mm -100.64 131.05 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.451 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.5 ttt -81.21 130.1 34.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.454 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 44' ' ' ARG . 49.0 t -81.29 118.64 22.79 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 121.365 0.602 . . . . 0.0 110.716 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -62.6 -0.46 0.62 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.691 -179.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 42' ' ' CYS . 12.2 tpt180 -109.62 -84.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.623 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.1 p -79.8 -3.3 47.13 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.837 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 52.77 42.13 31.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.264 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -102.42 93.69 5.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -57.39 120.35 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.224 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.477 ' CB ' ' OG ' ' A' ' 53' ' ' SER . 28.2 mmtp -139.72 164.22 30.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.4 -175.4 43.35 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -56.18 -5.85 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.093 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 26.6 p-10 -74.42 -50.5 18.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.88 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -91.3 1.69 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.83 129.44 55.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.401 ' HA ' HH21 ' A' ' 81' ' ' ARG . 41.7 t -59.7 152.65 22.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.192 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -57.59 -38.52 75.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.554 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -50.04 62.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.609 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 79' ' ' ILE . 87.4 mt-30 -61.3 -45.98 92.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.566 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.432 ' O ' ' OG1' ' A' ' 62' ' ' THR . 90.4 t90 -63.81 -39.37 94.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.2 p -70.82 -28.58 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -64.96 -28.39 69.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.538 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 70.1 p -66.62 -7.49 20.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.167 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.538 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 71.7 m-85 -119.59 141.89 48.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.983 0.42 . . . . 0.0 110.008 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -118.01 158.31 25.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.269 0.556 . . . . 0.0 110.002 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.08 135.54 43.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.516 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.0 p -139.83 133.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.619 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 42.88 26.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.46 28.67 38.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.8 mtt180 -131.04 149.38 52.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.471 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.7 m -86.15 123.08 31.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.38 135.75 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -66.31 145.07 56.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG22 HG23 ' A' ' 64' ' ' THR . 55.7 t -71.79 143.32 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.566 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.5 m -70.41 -44.68 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -138.78 80.8 24.27 Favored Pre-proline 0 N--CA 1.463 0.224 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.182 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -79.84 139.7 14.05 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.588 2.192 . . . . 0.0 112.434 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -130.1 110.57 11.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.328 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.18 164.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' O ' ' OE1' ' A' ' 58' ' ' GLN . 60.8 mt -107.79 141.84 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.5 p -78.53 167.46 21.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.484 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.401 HH21 ' HA ' ' A' ' 55' ' ' SER . 93.4 mtt-85 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -71.87 -42.47 66.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.02 -13.49 47.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.014 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.453 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 2.0 mm100 -48.05 -61.98 2.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.151 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 33.0 Cg_endo -62.52 115.77 3.1 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.376 2.051 . . . . 0.0 111.826 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -154.33 -70.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.29 -74.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.708 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.438 ' O ' ' CG ' ' A' ' 88' ' ' HIS . 18.1 p-80 -174.25 73.42 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.446 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -84.71 134.77 34.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 p -141.45 164.35 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.224 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.8 mt -127.66 133.0 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -78.84 130.25 35.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.51 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.9 t -108.68 133.84 52.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.941 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 p -95.19 -13.17 25.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.89 -26.7 36.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.39 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -109.43 -29.67 8.32 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 75.09 31.86 0.81 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.423 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -143.39 159.51 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.48 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -77.76 134.81 37.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.449 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.487 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 8.7 tptp -132.66 141.77 48.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.56 160.63 23.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.6 tt -73.11 -33.54 42.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.87 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -58.84 -41.47 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.471 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 97.5 mt-10 -79.59 16.97 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.4 OUTLIER -124.3 144.24 50.1 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.577 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.1 t -88.47 165.59 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.334 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.02 -45.59 77.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.23 90.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.542 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -59.48 -26.69 65.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.33 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -82.75 -30.08 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -66.25 -44.17 84.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.52 160.06 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 113' ' ' LEU . 9.4 mp -82.05 -7.65 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.16 79.33 74.58 Favored Pre-proline 0 N--CA 1.465 0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.16 134.84 66.04 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.722 2.281 . . . . 0.0 112.431 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.466 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 45.3 mtt-85 -132.95 136.92 46.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.518 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.668 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -68.0 151.44 47.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -54.29 -9.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.554 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.44 -49.04 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.406 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.668 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -64.51 -28.74 69.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.809 -178.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 m -80.78 -30.61 12.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.66 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 82.5 t60 -72.42 -4.12 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.419 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.8 t -83.76 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 125' ' ' ARG . 26.0 mt-30 -141.03 39.39 1.78 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 124' ' ' GLN . 16.6 ptm180 36.71 -155.97 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.74 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.382 179.201 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mmm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.93 126.53 7.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -84.19 -77.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.634 0.254 . . . . 0.0 110.604 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -130.69 -139.86 0.22 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.31 5.3 42.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -63.73 -13.84 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -79.6 0.13 31.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.642 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.82 139.32 55.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mp -116.57 125.45 51.88 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.05 130.09 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -86.87 144.92 26.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 44' ' ' ARG . 36.3 t -80.45 121.31 25.57 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.928 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.4 ' HG2' ' H ' ' A' ' 43' ' ' MET . 16.0 ptm -62.83 0.67 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.762 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 26.4 ttp180 -118.21 -72.47 0.69 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.06 -18.74 65.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.255 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 56.97 34.16 24.46 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -104.81 132.21 51.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.329 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.44 123.51 43.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -144.52 163.93 32.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.439 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -88.12 179.3 46.79 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.42 -4.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 50' ' ' GLY . 21.1 p-10 -74.47 -47.02 35.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.83 5.46 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.608 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -124.61 135.52 53.17 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.3 p -66.92 156.88 34.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.391 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -62.71 -41.56 99.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.648 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.3 m -62.72 -48.3 79.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.43 -42.19 88.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.685 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.529 ' O ' HG23 ' A' ' 62' ' ' THR . 80.2 t90 -68.01 -36.14 79.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.1 m -62.48 -31.44 72.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.755 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -63.97 -3.33 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' TRP . 64.3 p -74.06 -17.72 60.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.767 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.52 154.34 42.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -129.44 170.17 14.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.385 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.92 121.64 44.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.458 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ARG . 53.1 t -129.83 134.15 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.562 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 46.79 27.9 0.75 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.6 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.9 26.72 64.02 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' VAL . 78.9 ttt-85 -132.49 133.47 43.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.631 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.7 m -67.02 127.81 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.09 133.47 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.394 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.76 137.05 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.449 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.8 t -65.88 -42.06 90.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.06 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -139.71 82.33 18.23 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -81.42 117.83 3.15 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.645 2.23 . . . . 0.0 111.712 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -104.88 113.85 27.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.974 0.416 . . . . 0.0 110.389 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.2 m -150.15 158.27 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.392 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.467 HG22 ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -115.44 140.96 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.372 -179.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.3 p -54.52 168.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.72 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.38 -36.06 82.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.6 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 p -61.43 -22.4 64.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.545 ' SG ' ' CZ ' ' A' ' 44' ' ' ARG . 1.3 m -81.33 -1.58 45.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 12.4 mt-30 -37.41 -61.01 0.77 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.521 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 30.2 Cg_endo -62.53 97.49 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.51 2.14 . . . . 0.0 111.572 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' H ' ' CE1' ' A' ' 88' ' ' HIS . 20.6 tptp -139.09 113.04 8.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.551 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 38.42 79.67 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.63 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -91.61 178.29 5.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.118 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.438 ' C ' HG23 ' A' ' 102' ' ' ILE . 20.0 t0 63.96 -1.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.539 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 88' ' ' HIS . 14.7 t -130.94 143.84 51.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.471 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.8 mt -119.34 133.45 66.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.234 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -82.34 113.91 20.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.145 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.67 132.62 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -90.23 -18.41 25.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.3 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.96 -27.0 15.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.49 30.76 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.559 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -141.84 160.81 39.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.431 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -75.89 133.73 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -136.24 141.93 43.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.656 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.67 28.61 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.438 HG23 ' C ' ' A' ' 89' ' ' ASP . 25.0 pt -80.76 -23.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 104' ' ' GLU . 14.9 p30 -57.49 -42.38 82.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 89.1 mt-10 -86.19 28.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.49 143.9 50.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.175 0.512 . . . . 0.0 110.575 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.3 m -81.65 174.44 11.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.433 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.64 -36.38 82.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 112' ' ' VAL . . . -84.32 -46.69 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 35.8 mt-30 -48.82 -29.42 4.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.609 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -93.36 -10.89 33.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.509 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 111' ' ' HIS . 72.6 t60 -125.38 18.28 8.23 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.542 HG22 ' N ' ' A' ' 113' ' ' LEU . 14.9 p -97.5 162.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.542 ' N ' HG22 ' A' ' 112' ' ' VAL . 14.0 mt -62.9 -39.14 93.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.058 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' H ' HG22 ' A' ' 112' ' ' VAL . 25.0 m-20 -123.57 80.75 54.44 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.193 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.75 130.35 36.76 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.123 2.549 . . . . 0.0 112.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 7.7 mtp180 -144.09 117.92 9.33 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.325 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.1 m -42.74 156.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.684 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.52 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 87.1 mt-30 -62.49 -9.99 10.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.664 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.29 -27.69 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.637 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -83.67 -26.85 29.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.328 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 m -79.54 -26.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 15.1 m-70 -86.88 2.94 47.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.9 m -96.27 -38.22 10.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.592 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 126' ' ' ASN . 36.8 tt0 -142.52 39.35 1.54 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 110.361 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.53 ' O ' ' ND2' ' A' ' 126' ' ' ASN . 85.0 mtt85 52.99 -91.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 125' ' ' ARG . 16.4 m120 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.55 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 34' ' ' ASN . . . 71.59 -117.04 6.39 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 71.36 -43.49 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -95.73 104.76 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -66.35 -35.42 80.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.06 -41.72 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.505 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -98.47 34.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.17 179.76 7.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 49' ' ' LYS . 58.8 mt -137.43 95.76 3.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.996 0.427 . . . . 0.0 110.732 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.03 138.49 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.1 ttt -77.03 140.61 40.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -83.21 138.66 33.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' MET . 5.5 ptt? -79.69 -3.02 45.5 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.36 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 46' ' ' ARG . 58.1 mtp180 -115.6 -88.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 19.7 p -66.32 6.63 0.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 44' ' ' ARG . 86.5 mtm-85 36.74 46.86 0.5 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.017 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CD ' ' NZ ' ' A' ' 49' ' ' LYS . 25.9 ttmt -115.17 123.69 49.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.439 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 ' H ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.97 131.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' NZ ' ' CD ' ' A' ' 47' ' ' LYS . 33.5 mttp -146.01 154.03 41.42 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -108.83 -177.12 21.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -52.93 -6.44 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 50' ' ' GLY . 50.1 t0 -72.94 -56.29 5.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.93 0.395 . . . . 0.0 110.666 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.1 m -91.23 16.96 8.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.335 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.25 139.1 50.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 p -66.45 155.66 36.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.326 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.51 -39.35 94.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -63.49 -47.66 80.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.56 -39.45 91.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -62.2 -39.99 94.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' PHE . 37.7 m -59.38 -29.8 67.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.648 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' HG21 ' A' ' 73' ' ' VAL . 62.1 mttm -70.52 -12.15 61.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -75.55 -19.07 59.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.524 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 32.3 p90 -148.56 156.68 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 110.243 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 73' ' ' VAL . 22.2 p -130.4 168.92 16.19 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.97 123.95 47.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.424 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -134.43 136.68 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.515 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 51.23 22.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.2 25.06 64.66 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.57 133.76 38.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.509 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -60.9 128.84 38.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.205 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' THR . 16.3 m -136.81 153.0 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 t -86.34 137.52 32.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.684 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 64' ' ' THR . 20.2 t -60.83 154.08 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.5 m -61.41 -41.83 97.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.61 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.13 79.53 7.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.411 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -77.28 118.21 4.6 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.695 2.263 . . . . 0.0 111.906 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -125.02 125.79 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.293 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.16 148.1 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' ILE . 7.7 tt -94.27 127.41 46.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.6 p -64.7 161.6 17.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -67.17 -39.61 86.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.503 ' C ' ' H ' ' A' ' 84' ' ' GLN . 16.9 m -53.31 -40.09 64.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.05 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -70.33 16.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.503 ' H ' ' C ' ' A' ' 82' ' ' THR . 34.1 mt-30 -142.14 62.59 14.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.418 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.31 -78.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.661 2.241 . . . . 0.0 112.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -141.31 114.58 8.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -78.83 -15.34 58.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.439 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.27 129.51 40.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -135.12 129.35 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.4 p -138.39 162.54 34.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.491 HG12 HG22 ' A' ' 102' ' ' ILE . 5.1 mm -118.46 131.91 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.56 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.449 ' CD1' ' C ' ' A' ' 92' ' ' TRP . 11.8 t90 -80.53 111.07 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.0 t -87.92 130.49 34.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.482 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -93.26 -9.12 40.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.27 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.17 -36.47 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.47 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 68.6 m -98.52 -26.8 14.31 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 71.25 35.16 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.355 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -146.23 161.31 40.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 79.1 m -79.59 138.78 37.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -142.41 146.92 35.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.75 165.91 36.47 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.491 HG22 HG12 ' A' ' 91' ' ' ILE . 32.9 pt -80.42 -16.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.979 0.419 . . . . 0.0 110.824 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.18 -42.11 99.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.607 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -84.78 22.22 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.31 136.76 53.15 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.073 0.463 . . . . 0.0 110.685 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -75.64 167.2 22.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.364 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -63.27 -40.65 98.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.94 -41.65 82.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -57.11 -37.17 71.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.624 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -81.14 -11.04 59.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.363 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -96.63 -45.91 6.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.767 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.2 m -52.2 173.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 113' ' ' LEU . 10.3 mp -88.97 -11.58 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 12.4 p30 -133.75 77.99 62.21 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-O 121.087 0.47 . . . . 0.0 110.313 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -59.75 147.42 92.26 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.894 2.396 . . . . 0.0 112.059 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -154.25 126.66 7.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.7 OUTLIER -47.35 147.95 1.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -56.44 -8.66 0.56 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.188 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -89.38 -28.18 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.034 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.0 OUTLIER -82.01 -33.15 30.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.3 m -63.68 -37.22 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.45 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.43 ' N ' HG23 ' A' ' 121' ' ' VAL . 76.5 m-70 -88.54 10.21 21.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.2 p -126.56 -8.52 6.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.492 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 126' ' ' ASN . 3.1 tp-100 -142.44 18.15 2.04 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.548 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' O ' ' OD1' ' A' ' 126' ' ' ASN . 84.7 mtp180 42.41 -91.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 124' ' ' GLN . 89.2 m-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.527 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.22 -8.52 79.29 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -62.3 -40.91 97.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.807 -0.231 . . . . 0.0 110.623 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -110.87 130.19 55.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.967 0.413 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 30.1 p-10 -78.26 -7.41 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -90.04 -2.28 58.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.615 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -90.75 12.09 20.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.38 176.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.42 117.56 14.43 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.5 mt -101.68 142.09 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.9 ttt -92.76 130.0 38.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 t -84.0 156.16 22.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.291 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -107.2 -9.14 16.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.366 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -101.47 -58.62 1.85 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.804 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 17.0 p -102.82 -3.91 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.764 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 56.1 31.98 19.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.494 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 17.7 ttmm -87.07 133.35 33.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -107.15 127.7 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -167.67 178.03 5.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.682 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.571 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -95.58 -167.51 35.19 Favored Glycine 0 CA--C 1.517 0.199 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 tt -50.79 -4.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.826 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 50' ' ' GLY . 68.3 t0 -71.06 -53.69 13.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.11 6.74 43.75 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -129.76 139.9 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.949 0.404 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 p -67.82 160.12 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.49 -40.85 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.558 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -65.96 -65.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -48.17 -42.83 30.7 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.39 0.614 . . . . 0.0 110.57 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -61.24 -38.42 86.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.408 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.9 m -79.02 -11.31 60.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.988 0.423 . . . . 0.0 111.074 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -78.49 -26.54 45.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.47 ' C ' HG23 ' A' ' 73' ' ' VAL . 65.6 p -75.41 10.89 1.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.15 149.99 50.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 0.0 110.395 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -134.89 158.46 44.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.252 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.09 122.5 44.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.486 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' ARG . 55.3 t -130.53 131.6 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.517 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 46.79 32.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.376 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.89 70.85 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' VAL . 79.5 ttt-85 -130.7 138.35 49.97 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.396 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.5 m -73.61 126.34 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 m -132.39 134.66 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m -70.08 149.23 47.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.47 HG23 ' C ' ' A' ' 62' ' ' THR . 92.7 t -82.6 128.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.512 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.1 p -66.87 -33.27 75.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.914 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -126.08 75.05 72.26 Favored Pre-proline 0 N--CA 1.466 0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HB2' HG22 ' A' ' 62' ' ' THR . 58.8 Cg_endo -80.06 111.15 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.644 2.229 . . . . 0.0 111.57 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -102.52 87.36 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.24 160.96 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.284 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 pt -117.32 167.72 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.769 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 m -78.04 166.65 22.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.874 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.11 -37.35 87.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -76.48 -27.23 56.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.979 0.419 . . . . 0.0 110.777 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.21 -27.29 67.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.328 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -100.51 147.5 33.68 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.372 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.67 143.67 68.93 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.632 2.221 . . . . 0.0 112.178 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 88' ' ' HIS . 97.1 mttt -146.12 158.42 43.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.24 11.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 86' ' ' LYS . 95.2 m-70 54.73 77.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -94.2 0.86 56.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.411 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.6 m -134.93 148.51 50.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.486 HD11 HH11 ' A' ' 110' ' ' ARG . 96.1 mt -124.62 133.02 70.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -77.57 114.26 16.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 19.8 t -90.35 133.51 34.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.71 -10.27 34.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.656 0.265 . . . . 0.0 110.313 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.07 -26.57 22.47 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.612 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 90.5 m -100.42 -38.12 8.55 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.757 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 30.3 tt0 82.08 31.07 0.11 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.459 0.475 . . . . 0.0 110.283 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -151.45 167.66 27.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 m -76.01 137.27 40.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -135.64 140.58 44.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.65 164.97 25.16 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 tt -78.24 -24.03 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.821 0.343 . . . . 0.0 110.809 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.14 -42.1 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.713 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.464 ' C ' HE22 ' A' ' 118' ' ' GLN . 72.7 mm-40 -81.94 22.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.717 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.674 ' CA ' HE22 ' A' ' 118' ' ' GLN . 2.0 m-85 -130.84 142.79 50.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.908 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' N ' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -93.29 179.25 5.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' N ' ' OG ' ' A' ' 106' ' ' SER . 63.9 mttp -74.58 -39.48 62.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.136 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.05 86.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 9.7 mp0 -59.9 -37.91 80.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.303 0.573 . . . . 0.0 110.462 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.486 HH11 HD11 ' A' ' 91' ' ' ILE . 77.8 mtp85 -71.21 -38.69 72.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -58.87 -43.88 90.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.88 150.78 8.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.5 -12.94 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -126.48 81.72 67.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.2 144.52 95.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.808 2.339 . . . . 0.0 111.786 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -146.54 125.71 12.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.665 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' CYS . 3.5 m -41.73 145.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.605 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.674 HE22 ' CA ' ' A' ' 105' ' ' PHE . 0.8 OUTLIER -48.15 -29.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.656 -179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -80.35 -22.71 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.858 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 117' ' ' CYS . 99.4 m -80.98 -42.59 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.414 ' H ' HG12 ' A' ' 121' ' ' VAL . 2.4 p -76.35 -34.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 118' ' ' GLN . 7.6 m-70 -82.71 13.97 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.255 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.2 t -98.06 -55.72 2.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -132.72 32.21 3.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.5 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 55.51 176.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.351 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.523 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.6 ttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.78 149.04 4.9 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -65.35 -36.36 83.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.599 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -95.95 122.88 39.24 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -84.3 7.9 17.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' ALA . 46.2 t-20 -62.68 -40.18 96.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.387 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 66.3 t0 -70.65 38.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.544 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.576 ' C ' HD12 ' A' ' 39' ' ' LEU . . . -106.62 126.29 52.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.355 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 38' ' ' ALA . 10.8 mp -113.83 137.13 52.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.146 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.04 132.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.469 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 30.5 ttp -83.75 136.0 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.77 143.93 52.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.07 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ptp -80.76 -5.98 57.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.6 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -120.13 -48.41 2.33 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.907 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 m -84.28 -20.62 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.699 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 58.24 24.42 11.44 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -105.12 136.31 44.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.687 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.8 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.18 144.93 35.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.59 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.19 172.87 28.36 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -43.72 -24.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.312 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 53' ' ' SER . 35.5 p-10 -73.99 -43.78 56.87 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.958 0.408 . . . . 0.0 111.026 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.2 m -93.73 8.54 40.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.398 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 131.71 53.5 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -57.08 144.48 34.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.069 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.0 -40.19 94.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.651 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.426 ' OG1' ' OE1' ' A' ' 58' ' ' GLN . 25.2 p -58.77 -51.32 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.617 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.426 ' OE1' ' OG1' ' A' ' 57' ' ' THR . 16.4 mp0 -67.29 -41.07 86.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.267 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -58.29 -38.31 76.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.5 t -63.11 -22.19 66.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.811 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' HG21 ' A' ' 73' ' ' VAL . 65.7 mttm -84.45 -21.15 30.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 0.0 110.595 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.9 p -66.95 -1.92 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.631 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -160.81 166.53 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.966 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 71' ' ' VAL . 1.1 p -134.1 169.55 16.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.18 130.65 55.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.427 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' ARG . 5.7 p -140.92 137.88 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.372 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 43.52 21.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' VAL . . . 82.48 29.93 34.82 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 66' ' ' VAL . 88.9 mtm180 -134.84 132.57 38.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.639 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.3 m -68.51 132.57 47.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.471 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 64' ' ' THR . 6.8 m -132.79 133.91 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.965 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m -77.28 141.28 40.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.527 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 74' ' ' SER . 24.5 t -70.08 156.02 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.416 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 73' ' ' VAL . 10.7 t -67.52 -43.99 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.842 0.354 . . . . 0.0 111.01 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -148.31 80.34 8.55 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.307 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 117.58 4.17 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.436 2.09 . . . . 0.0 112.01 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -107.13 107.16 18.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.072 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.2 158.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.18 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.3 pt -102.79 153.95 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.4 p -82.36 -175.1 5.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.644 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -74.44 -34.49 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.673 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 82' ' ' THR . 10.3 p -56.6 -49.43 74.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 p -85.4 2.28 45.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -129.52 57.12 28.26 Favored Pre-proline 0 N--CA 1.466 0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.66 -21.54 39.01 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.625 2.217 . . . . 0.0 111.889 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -64.29 95.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -81.6 130.32 35.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.678 ' CD2' HH21 ' A' ' 110' ' ' ARG . 50.9 t-80 43.02 -115.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.541 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.586 ' N ' ' CG ' ' A' ' 88' ' ' HIS . 44.9 t0 -172.71 176.11 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.388 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 p -58.35 173.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 105' ' ' PHE . 82.3 mt -130.03 134.16 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.338 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.663 ' CH2' HG22 ' A' ' 94' ' ' THR . 11.2 t90 -87.83 127.25 35.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.62 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.11 133.63 37.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' CH2' ' A' ' 92' ' ' TRP . 2.5 p -91.49 -9.65 43.71 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.508 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.634 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -93.89 -15.41 25.03 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.557 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.3 m -115.39 -20.08 10.44 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.56 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 60.46 29.07 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -134.79 152.65 51.93 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -81.53 130.89 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.517 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -127.13 139.69 52.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.03 165.55 5.46 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.52 -35.78 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.943 0.402 . . . . 0.0 110.79 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.34 -39.24 86.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.565 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -74.46 9.04 1.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.502 ' CB ' HD12 ' A' ' 91' ' ' ILE . 1.3 m-85 -129.09 148.85 51.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.683 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.3 t -88.6 171.2 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.338 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -71.76 -44.86 63.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.117 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 112' ' ' VAL . 81.5 mt-30 -56.95 -26.14 59.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.678 HH21 ' CD2' ' A' ' 88' ' ' HIS . 78.8 ttt-85 -87.02 -15.88 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.994 0.426 . . . . 0.0 110.331 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -90.27 17.87 6.66 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.24 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 109' ' ' GLN . 14.8 m -126.2 159.43 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.008 0.432 . . . . 0.0 110.101 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 113' ' ' LEU . 4.0 mm? -64.0 -39.21 93.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.98 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD2' HG21 ' A' ' 94' ' ' THR . 7.7 t70 -120.35 85.21 36.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.75 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.78 141.92 92.2 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.492 2.128 . . . . 0.0 111.798 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -130.58 119.55 22.68 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.433 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.5 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 31.9 p -46.37 144.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.673 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' CA ' HE22 ' A' ' 109' ' ' GLN . 2.8 pt20 -52.48 -11.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.825 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.419 ' N ' ' C ' ' A' ' 117' ' ' CYS . 39.1 mm -88.42 -39.41 12.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.488 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.634 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 3.7 m -69.17 -33.64 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 123' ' ' SER . 6.5 m -74.46 -40.25 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.715 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 14.9 t-80 -62.6 1.52 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 121' ' ' VAL . 37.5 m -126.27 -57.54 1.39 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 125' ' ' ARG . 99.5 mm-40 -97.05 30.07 2.88 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.732 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 124' ' ' GLN . 8.1 ptp180 30.98 -105.05 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.605 0.566 . . . . 0.0 111.015 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.072 179.151 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.32 105.66 1.89 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 35' ' ' ASP . 98.8 mttt -63.03 -33.74 76.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.825 0.345 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -68.66 40.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.127 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 33' ' ' LYS . 99.4 m-20 -76.32 -5.84 48.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.614 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 37' ' ' ASP . 45.7 p30 -65.85 -24.72 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 36' ' ' ASN . 45.8 t0 -77.2 23.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.267 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -72.49 173.57 8.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.706 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp -139.53 110.76 6.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.118 0.485 . . . . 0.0 110.032 178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.5 mp -100.98 146.5 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.61 135.75 35.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.89 139.4 39.24 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.103 0.477 . . . . 0.0 110.157 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.2 ptm -77.67 -5.67 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.033 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -118.06 -85.37 0.65 Allowed 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.154 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.7 p -66.28 -4.56 8.09 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.603 0.239 . . . . 0.0 111.518 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 48.06 36.5 6.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 111.46 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -91.72 127.22 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.061 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.22 114.15 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -149.08 170.78 17.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.384 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -106.13 -166.52 23.07 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -48.97 -7.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 50' ' ' GLY . 98.6 m-20 -71.09 -49.51 43.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.111 0.482 . . . . 0.0 110.011 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.5 m -87.64 4.61 43.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.872 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.87 142.02 51.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.039 0.447 . . . . 0.0 111.133 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.1 t -69.46 160.64 31.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.502 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.12 -41.27 98.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.901 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 m -62.85 -46.14 89.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.71 -48.47 74.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.013 0.435 . . . . 0.0 111.379 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.427 ' O ' ' OG1' ' A' ' 62' ' ' THR . 6.8 t-105 -56.44 -33.93 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.25 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.3 p -66.67 -20.3 65.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -78.49 -20.05 51.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.369 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.519 ' OG1' ' CE2' ' A' ' 63' ' ' PHE . 72.5 p -71.65 -7.62 49.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CE2' ' OG1' ' A' ' 62' ' ' THR . 42.9 m-85 -124.78 146.13 49.38 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.971 0.415 . . . . 0.0 110.247 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.509 HG23 HG22 ' A' ' 73' ' ' VAL . 2.1 p -123.46 155.85 36.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.867 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 122.07 44.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.196 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -128.9 131.11 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.063 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 50.81 26.03 2.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.99 15.61 78.63 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -117.61 143.91 45.68 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.794 0.331 . . . . 0.0 110.355 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 m -77.89 123.62 26.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.214 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.02 134.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.452 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.2 p -69.64 147.23 50.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 64' ' ' THR . 96.3 t -70.45 141.89 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.384 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.9 p -66.76 -41.95 86.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.019 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' H ' HG12 ' A' ' 73' ' ' VAL . 1.9 m-20 -151.07 79.07 7.03 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.313 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.75 140.87 14.95 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.127 1.885 . . . . 0.0 112.535 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -120.73 109.86 15.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -149.16 148.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.12 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 80' ' ' CYS . 89.3 mt -87.9 153.3 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 79' ' ' ILE . 13.7 p -93.13 155.01 17.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -61.04 -29.77 69.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.085 0.469 . . . . 0.0 110.564 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.8 m -65.2 -38.02 89.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.389 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -54.4 -73.12 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.476 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 38.41 73.17 0.8 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.771 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.5 -29.46 16.44 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.043 1.829 . . . . 0.0 112.37 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -171.39 -78.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.672 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 50.47 -126.35 2.28 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.247 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.3 t60 41.24 81.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.732 0.301 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -159.33 159.55 34.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.581 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.8 m -57.46 172.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.02 138.04 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -85.28 138.02 32.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.737 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 14.8 t -110.42 137.88 47.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -96.41 -12.41 24.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' N ' ' SG ' ' A' ' 93' ' ' CYS . . . -84.38 -21.69 30.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.8 m -121.23 -10.98 8.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.57 35.55 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.207 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -141.47 155.87 45.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.033 0.444 . . . . 0.0 110.737 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.1 m -86.36 140.68 29.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -135.97 147.49 48.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.456 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.97 165.25 26.34 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 tt -69.38 -32.72 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.81 0.338 . . . . 0.0 111.033 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.37 -41.31 96.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.47 5.27 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -121.9 141.45 51.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.726 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -87.23 163.7 16.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.07 -37.49 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.62 88.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -75.88 -16.64 60.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.147 0.499 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -80.07 -20.55 44.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -85.86 -43.48 13.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.5 m -54.31 167.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.408 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 113' ' ' LEU . 7.4 mp -81.64 -15.63 53.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -131.22 79.18 71.08 Favored Pre-proline 0 N--CA 1.466 0.36 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.4 140.71 95.58 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.451 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 91.3 mtt180 -129.13 141.13 51.28 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.89 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.8 m -66.06 145.19 56.14 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.827 0.346 . . . . 0.0 110.308 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -50.65 -10.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.478 ' H ' ' C ' ' A' ' 117' ' ' CYS . 81.5 mt -87.89 -49.44 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.7 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -64.02 -31.95 73.32 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.148 -179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.5 m -68.74 -41.4 82.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.604 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.497 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.8 t-80 -47.46 -52.59 16.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.157 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 60.3 p -83.62 -50.47 8.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.774 0.321 . . . . 0.0 110.621 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 125' ' ' ARG . 39.1 tt0 -80.86 36.51 0.4 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.391 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 124' ' ' GLN . 11.8 ptm180 30.87 -105.16 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.501 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.44 61.39 3.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -62.0 -45.34 94.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -169.34 111.97 0.5 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -93.14 2.75 56.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.523 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -89.91 0.82 56.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 52.8 t0 -93.38 13.6 21.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.03 0.443 . . . . 0.0 110.453 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.92 138.27 49.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.554 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 40' ' ' ILE . 11.4 mt -105.55 127.31 52.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.467 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.5 mp -91.11 137.21 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.1 ttt -85.59 123.15 30.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.421 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.1 t -86.1 147.69 26.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.414 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptm -97.7 -8.02 29.6 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.92 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -87.55 -58.81 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.058 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -104.0 14.75 30.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.582 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 41.27 30.31 0.12 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.917 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -107.2 155.55 19.79 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.16 132.52 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.255 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -134.49 140.63 46.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -88.57 170.66 38.84 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 tt -45.71 -26.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.004 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -72.84 -40.22 65.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 p -96.83 10.39 39.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.309 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.48 141.05 49.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.964 0.411 . . . . 0.0 110.701 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.0 t -60.84 148.97 37.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.119 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.14 -43.15 99.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.5 m -62.51 -49.49 75.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -60.31 -46.82 88.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -61.76 -38.32 87.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.736 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -72.67 -26.53 61.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.21 -12.66 61.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.629 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' VAL . 44.5 p -87.75 5.68 38.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.948 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.76 147.44 48.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 110.171 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 p -132.85 160.28 37.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -111.21 117.16 32.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.066 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.4 p -136.55 147.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.529 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 53.37 18.3 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.723 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.14 24.01 69.95 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -66.19 127.78 33.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.21 136.77 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.021 0.439 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.5 m -72.6 145.95 46.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 62' ' ' THR . 72.6 t -71.23 154.35 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.401 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 p -92.36 -34.27 14.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.709 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' N ' HG12 ' A' ' 73' ' ' VAL . 6.9 p-10 -128.08 70.67 78.57 Favored Pre-proline 0 N--CA 1.466 0.34 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.165 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.67 89.52 1.11 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.743 2.295 . . . . 0.0 112.177 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -86.82 91.56 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.65 162.8 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.956 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 80' ' ' CYS . 87.2 mt -115.38 159.74 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.927 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.546 ' N ' HG22 ' A' ' 79' ' ' ILE . 3.3 m -78.24 169.47 18.22 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -70.26 -35.58 73.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.402 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 p -82.95 -25.81 32.0 Favored 'General case' 0 CA--C 1.526 0.056 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.772 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 m -75.28 -20.06 59.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.285 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 2.6 mt-30 -54.99 -62.61 3.97 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.317 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 84' ' ' GLN . 29.6 Cg_endo -61.41 158.73 34.58 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.564 2.176 . . . . 0.0 111.905 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.11 135.83 57.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.134 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.617 ' CD ' ' H ' ' A' ' 87' ' ' GLN . 2.6 pm0 -42.86 165.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.701 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -65.93 168.67 7.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.576 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -82.05 8.86 9.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.4 p -57.5 176.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.465 HD11 ' HE ' ' A' ' 110' ' ' ARG . 96.7 mt -132.92 136.03 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -84.58 135.24 34.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -99.08 124.69 44.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 p -95.07 -10.43 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -73.7 -45.89 49.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.87 -6.3 14.75 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.508 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 66.96 38.96 3.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.564 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -129.16 141.06 51.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.0 m -81.22 133.39 35.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -135.89 146.29 47.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.68 167.25 54.48 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 102' ' ' ILE . 30.5 pt -72.34 -16.35 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.743 0.306 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.11 -42.38 84.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 44.4 mp0 -94.11 14.99 18.25 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.526 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.442 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -119.88 130.44 54.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.435 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.551 ' HG ' ' CD ' ' A' ' 109' ' ' GLN . 5.5 p -58.79 147.86 31.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.058 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -64.99 -41.14 95.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.96 73.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.551 ' CD ' ' HG ' ' A' ' 106' ' ' SER . 2.1 mp0 -63.34 -45.22 92.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.484 . . . . 0.0 110.469 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.465 ' HE ' HD11 ' A' ' 91' ' ' ILE . 34.1 mtp180 -56.7 -3.08 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 109' ' ' GLN . 75.5 m80 -114.92 21.23 14.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.411 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 109' ' ' GLN . 2.0 m -127.21 158.73 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 113' ' ' LEU . 10.3 mp -64.7 -40.8 95.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -119.02 94.79 48.72 Favored Pre-proline 0 CA--C 1.536 0.409 0 O-C-N 123.03 0.206 . . . . 0.0 110.507 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -77.57 130.7 10.94 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.432 2.088 . . . . 0.0 111.846 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.442 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 85.1 mtt85 -108.59 128.26 54.67 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.381 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.421 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.6 p -60.06 150.73 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.543 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -50.09 -14.99 0.18 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.421 ' N ' ' C ' ' A' ' 117' ' ' CYS . 77.9 mt -88.34 -40.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.2 m -67.83 -36.16 79.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 122' ' ' HIS . 17.1 m -68.92 -36.55 74.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 84.6 t60 -81.16 -2.71 49.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.8 p -116.64 -11.6 11.0 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 125' ' ' ARG . 15.9 mm100 -139.56 39.08 2.04 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.722 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 124' ' ' GLN . 8.2 ptp180 30.9 -104.98 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.692 0.62 . . . . 0.0 110.77 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.44 179.352 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.31 99.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.63 -89.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.712 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -95.67 100.71 12.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 56.0 t0 -68.67 -16.14 63.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.544 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' C ' ' H ' ' A' ' 38' ' ' ALA . 8.1 m120 -62.05 -33.06 73.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.268 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -64.45 0.75 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -69.72 141.38 53.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.442 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.01 125.07 52.52 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' ' CE1' ' A' ' 54' ' ' TYR . 31.6 mm -111.65 128.04 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 110.251 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -104.57 138.35 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.999 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -90.34 152.22 21.11 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 111.872 -179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -82.16 2.12 33.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.423 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -107.2 -93.14 0.4 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.035 0.445 . . . . 0.0 110.664 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -7.75 44.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 59.28 38.82 23.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.331 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.521 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 21.3 mttm -78.8 126.85 31.26 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.64 123.7 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.681 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -168.37 177.2 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.539 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -81.46 -171.68 45.71 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.39 -3.66 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.193 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 50' ' ' GLY . 66.2 t0 -73.98 -54.51 7.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 0.0 110.577 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -78.71 3.38 16.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE1' ' O ' ' A' ' 40' ' ' ILE . 6.8 m-85 -126.65 137.6 53.31 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.094 0.473 . . . . 0.0 110.555 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.2 p -70.56 154.7 41.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.379 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 60' ' ' SER . 21.0 m -62.75 -48.4 79.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -70.02 -40.91 74.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 83.8 t90 -64.21 -36.37 83.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.699 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 57' ' ' THR . 91.1 p -61.79 -22.4 65.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -76.3 -5.25 46.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 59' ' ' TRP . 47.6 p -67.48 -10.33 50.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HA ' HG23 ' A' ' 73' ' ' VAL . 25.0 p90 -145.95 155.46 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.435 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.4 p -125.78 175.61 7.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.982 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE1' ' OG1' ' A' ' 70' ' ' THR . 0.2 OUTLIER -120.99 144.06 48.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.155 -179.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 69' ' ' ARG . 2.2 t -132.16 124.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.871 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.578 HH21 ' NH1' ' A' ' 69' ' ' ARG . 49.7 ptt85 34.18 36.14 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.05 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.79 32.26 13.44 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.578 ' NH1' HH21 ' A' ' 67' ' ' ARG . 62.4 ttp180 -134.7 121.24 20.51 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.944 0.402 . . . . 0.0 110.719 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.507 ' OG1' ' CE1' ' A' ' 65' ' ' PHE . 25.5 m -72.83 128.69 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 m -138.44 141.15 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.402 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.9 m -78.34 141.22 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.55 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' A' ' 63' ' ' PHE . 83.0 t -73.83 134.98 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.747 0.308 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 m -65.42 -40.16 93.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.935 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.25 84.1 8.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.512 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.35 118.66 4.34 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.297 1.998 . . . . 0.0 111.998 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.21 103.11 14.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.05 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.61 164.39 19.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -119.98 128.21 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.555 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 14.3 p -56.41 161.95 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.261 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 38.6 ptt180 -69.94 -22.71 63.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.555 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 12.8 p -80.33 -22.16 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.544 ' N ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -64.7 -55.42 20.11 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 81' ' ' ARG . 43.4 mt-30 36.35 82.15 0.23 Allowed Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.344 0.402 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.95 -37.78 67.83 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 122.493 2.129 . . . . 0.0 111.862 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -63.37 129.12 38.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.534 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.5 ' NE2' ' OD1' ' A' ' 103' ' ' ASN . 10.5 tp-100 -172.01 109.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.477 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -66.56 -41.78 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -84.76 114.52 22.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.129 0.49 . . . . 0.0 110.39 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -136.66 155.92 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.471 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.2 mt -129.59 134.55 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.502 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -84.65 128.25 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.343 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.4 t -103.72 137.4 41.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.779 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.3 p -98.76 -10.44 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.66 -31.13 22.7 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.2 m -100.41 -31.79 11.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 79.22 26.77 0.42 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.11 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -140.82 156.56 46.12 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.2 m -85.28 138.88 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -135.59 146.84 48.36 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.312 0.577 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.33 169.04 50.18 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.024 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.6 tt -70.05 -23.99 25.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.726 0.298 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.5 ' OD1' ' NE2' ' A' ' 87' ' ' GLN . 13.2 m120 -63.2 -42.77 99.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.144 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 80.0 mm-40 -88.83 13.91 11.51 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.44 139.11 54.2 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.673 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.495 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 8.6 m -77.49 161.9 27.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.408 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 107' ' ' LYS . 1.2 mptm? -70.06 -43.87 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.796 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.17 -29.61 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -58.4 -26.03 62.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.21 0.528 . . . . 0.0 110.076 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -73.18 -37.24 66.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -60.57 -44.03 96.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.457 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 109' ' ' GLN . 34.2 m -67.17 146.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.308 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 113' ' ' LEU . 9.6 mp -66.16 -23.23 66.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.479 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -125.38 82.4 62.77 Favored Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.619 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.3 142.21 94.77 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.554 2.169 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.442 ' H ' ' HG3' ' A' ' 109' ' ' GLN . 96.9 mtt180 -128.79 120.98 27.35 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.495 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.639 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -54.31 152.65 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.022 0.439 . . . . 0.0 110.747 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.495 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 11.6 mp0 -54.89 -10.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -88.01 -48.15 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.846 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.8 OUTLIER -66.78 -30.55 70.79 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.046 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 123' ' ' SER . 10.4 m -74.5 -35.69 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.749 0.309 . . . . 0.0 110.566 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -63.66 0.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.672 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 121' ' ' VAL . 44.2 p -89.88 -50.22 6.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.659 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 126' ' ' ASN . 11.2 tt0 -140.51 39.95 1.88 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.951 0.405 . . . . 0.0 110.338 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 52.04 -89.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 124' ' ' GLN . 62.3 t30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.692 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.4 mtp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.94 100.68 2.71 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.46 145.96 27.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 110.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -156.95 170.98 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.535 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.3 -39.49 93.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' C ' ' H ' ' A' ' 38' ' ' ALA . 78.1 m-20 -62.88 -37.11 85.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.6 t0 -67.42 17.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.652 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.567 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -49.27 -179.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.202 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 49' ' ' LYS . 85.2 mt -139.53 109.44 6.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 0.0 110.229 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -107.52 150.08 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.8 ttt -88.91 135.28 33.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.421 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.36 147.87 37.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.5 ptm -94.69 -6.64 42.77 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -107.81 -63.15 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.75 0.31 . . . . 0.0 111.599 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 47' ' ' LYS . 19.4 p -95.49 -3.44 46.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 55.23 29.63 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.747 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 tttm -91.72 121.2 33.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.67 133.19 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.334 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.1 mmtt -168.08 172.54 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.926 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -103.85 -168.21 25.25 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 tt -50.42 -8.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.599 0.238 . . . . 0.0 111.459 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 50' ' ' GLY . 63.5 t0 -69.89 -46.88 64.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.751 0.31 . . . . 0.0 110.458 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.71 4.08 52.04 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.799 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.4 133.56 54.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 156.75 23.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.896 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -60.4 -40.46 91.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -62.37 -48.82 78.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 79' ' ' ILE . 87.7 mt-30 -61.19 -44.57 97.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.73 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.416 ' NE1' ' O ' ' A' ' 36' ' ' ASN . 1.8 t-105 -60.42 -38.44 84.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.139 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 m -66.06 -20.57 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -79.3 -24.94 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.572 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.0 p -68.55 -7.22 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.62 177.91 4.53 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.648 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.02 150.77 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.8 135.26 49.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.07 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 69' ' ' ARG . 47.0 t -132.39 112.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.041 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 40.62 42.86 1.47 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.09 68.49 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.0 tpt180 -118.83 123.45 44.78 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.921 0.391 . . . . 0.0 110.231 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -73.02 125.01 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.328 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.64 139.9 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.3 t -79.1 147.62 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' THR . 60.4 t -72.29 134.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.368 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -63.17 -44.45 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.25 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -147.5 79.78 9.43 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -80.2 149.32 19.56 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.494 2.129 . . . . 0.0 112.219 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -120.09 105.2 10.78 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.205 0.526 . . . . 0.0 110.465 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.98 159.68 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.36 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.531 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 11.9 pt -109.54 160.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.297 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.509 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 31.8 p -80.35 166.99 20.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -60.96 -39.74 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.509 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 60.4 p -63.48 -29.82 71.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.751 0.31 . . . . 0.0 110.607 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.39 -17.5 59.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.524 ' OE1' ' NE2' ' A' ' 58' ' ' GLN . 1.1 pt20 -143.61 68.72 16.91 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.43 118.41 4.26 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.611 2.208 . . . . 0.0 112.101 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -86.56 -10.05 54.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.594 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -142.9 156.38 44.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 89' ' ' ASP . 57.0 t-80 -155.47 156.79 35.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.414 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.423 ' O ' ' ND1' ' A' ' 88' ' ' HIS . 98.4 m-20 -84.17 -175.97 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.329 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.7 m -56.95 173.29 0.22 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.6 mt -125.93 132.32 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.228 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.73 123.3 30.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.521 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.05 132.83 35.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -90.88 -12.66 35.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 0.0 110.28 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.38 -17.54 27.07 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.471 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 67.7 m -121.04 -11.25 8.92 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 55.08 36.31 26.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.709 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -141.64 157.09 45.52 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -83.39 137.9 33.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -136.9 146.47 45.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.165 0.507 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.31 167.08 44.15 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.4 pt -77.2 -20.99 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.734 0.302 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -65.21 -42.34 93.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 96.2 mt-10 -84.17 17.32 2.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.64 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.91 141.12 51.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.31 0.576 . . . . 0.0 110.516 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -73.98 163.27 28.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.419 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.29 -27.81 67.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.58 -36.22 22.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -36.07 80.57 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -79.49 -8.43 59.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.439 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -94.03 -44.97 7.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.436 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.3 m -52.99 177.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 69.4 mt -87.88 -15.7 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -133.84 77.65 62.58 Favored Pre-proline 0 C--N 1.332 -0.195 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.37 141.25 94.8 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.785 2.323 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -135.71 132.63 37.15 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.99 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.644 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 0.6 OUTLIER -60.76 150.81 31.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.493 ' O ' ' ND1' ' A' ' 122' ' ' HIS . 7.6 mp0 -55.46 -10.21 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.167 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' N ' ' C ' ' A' ' 117' ' ' CYS . 18.1 mm -87.81 -43.3 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.644 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -70.9 -30.56 66.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.688 0.28 . . . . 0.0 110.972 -179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 122' ' ' HIS . 12.3 m -70.81 -38.09 71.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.83 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.493 ' ND1' ' O ' ' A' ' 118' ' ' GLN . 35.2 m170 -85.71 -2.09 57.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.725 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.2 m -123.31 -61.29 1.42 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 120' ' ' CYS . 27.9 mm100 -87.41 19.55 3.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.482 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 58.39 178.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.472 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.502 -179.695 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.23 87.37 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.18 -38.91 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 110.726 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -85.27 5.88 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -64.78 -32.43 74.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.53 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -80.09 12.48 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.62 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -86.01 14.62 5.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 147.6 53.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.507 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 40' ' ' ILE . 18.6 mt -118.86 132.84 56.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.9 mp -107.51 140.78 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.3 ttt -95.92 122.09 38.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.427 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.4 t -70.56 137.18 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.229 0.538 . . . . 0.0 111.0 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 5.7 ptt? -82.78 6.43 18.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -123.65 -91.46 0.55 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.365 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.7 p -64.85 -10.13 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.499 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 56.05 36.46 27.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.825 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.03 108.75 19.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.007 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -82.83 117.56 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -153.79 175.85 12.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.608 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -96.52 -168.69 34.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 tt -52.29 -7.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 49.6 t0 -70.99 -49.3 46.77 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -91.21 2.05 56.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 5.6 m-85 -127.22 137.58 52.93 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -75.46 164.55 26.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.407 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.22 -37.4 87.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.2 m -59.92 -51.33 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -75.85 -42.3 49.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -59.92 -40.75 89.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.0 m -81.37 -9.17 59.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.719 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 63' ' ' PHE . 10.9 ttmm -79.22 -33.67 43.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 ' C ' HG23 ' A' ' 73' ' ' VAL . 34.6 p -68.99 10.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' LYS . 96.5 m-85 -123.24 148.61 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.984 0.421 . . . . 0.0 110.271 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 71' ' ' VAL . 2.7 p -128.96 159.21 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.251 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -109.01 115.47 30.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.044 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.11 148.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.698 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 54.45 18.96 2.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.22 24.35 66.27 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -134.19 162.52 31.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 110.396 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 m -86.96 126.74 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.19 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 64' ' ' THR . 22.7 m -134.48 152.53 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.568 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 p -78.55 159.5 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG22 HG23 ' A' ' 64' ' ' THR . 75.7 t -90.1 132.13 35.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.264 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.9 t -62.13 -43.4 98.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -132.08 80.42 64.52 Favored Pre-proline 0 N--CA 1.465 0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.731 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.42 137.86 13.47 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.589 2.193 . . . . 0.0 111.955 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -120.89 95.27 4.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.167 0.508 . . . . 0.0 110.745 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.38 167.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 167.13 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.541 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 m -79.71 157.02 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 90.5 mtm180 -55.66 -42.36 74.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.101 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.0 m -59.83 -39.98 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.413 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.4 m -66.44 -24.52 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.547 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -147.11 77.14 11.02 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.41 147.09 25.24 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.539 2.159 . . . . 0.0 111.848 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -129.24 -66.53 0.81 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.469 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.86 59.5 1.25 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -149.39 -22.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -95.62 15.11 20.79 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.466 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -128.9 138.73 52.17 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.407 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.4 mt -120.66 129.11 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.011 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -79.35 112.41 16.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 95' ' ' ALA . 5.4 t -89.17 134.52 33.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.351 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -93.52 -7.97 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.235 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -90.34 -11.19 41.38 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 96.8 m -122.55 -34.96 3.16 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.423 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.4 tp60 80.72 35.83 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.494 0.496 . . . . 0.0 110.24 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.615 ' NE2' ' NZ ' ' A' ' 100' ' ' LYS . 18.0 pt20 -150.62 167.1 28.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.522 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 141.21 32.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.615 ' NZ ' ' NE2' ' A' ' 98' ' ' GLN . 30.0 mmtm -136.91 144.96 43.75 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.977 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.32 168.3 54.81 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -80.67 -11.31 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.473 HD22 ' N ' ' A' ' 103' ' ' ASN . 1.5 m120 -64.9 -44.75 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -96.16 17.86 14.82 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.402 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CZ ' ' N ' ' A' ' 117' ' ' CYS . 0.2 OUTLIER -123.13 136.78 54.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.018 0.437 . . . . 0.0 110.486 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.524 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 m -67.59 149.28 50.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.408 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.42 -42.11 99.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.421 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.62 82.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -62.05 -17.95 59.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.587 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.0 ttt-85 -84.53 -18.79 34.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -88.88 -40.41 13.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.293 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 m -55.61 152.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 0.0 110.599 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.1 mt -63.18 -30.87 71.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.641 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -121.18 99.62 46.08 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.455 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.71 138.97 19.58 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.516 2.144 . . . . 0.0 112.074 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.588 ' NH1' HD22 ' A' ' 126' ' ' ASN . 99.8 mtt180 -130.93 126.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.445 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 66.9 m -43.1 142.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.524 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 3.3 tp-100 -45.47 -26.84 0.62 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 123' ' ' SER . 10.5 tp -89.4 -37.49 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.57 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 5.7 m -53.46 -40.64 65.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.229 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 122' ' ' HIS . 27.7 m -68.9 -39.72 80.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.494 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.435 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.2 m80 -89.08 2.05 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.676 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 119' ' ' ILE . 66.1 m -74.57 -63.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -141.41 35.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 53.16 -166.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.588 HD22 ' NH1' ' A' ' 116' ' ' ARG . 13.2 m120 . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . -165.98 168.26 39.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt 44.33 -89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.634 0.254 . . . . 0.0 110.669 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' GLY . 12.3 m120 54.82 90.09 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.87 0.367 . . . . 0.0 110.531 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -66.96 -16.28 64.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -87.09 11.84 12.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 37' ' ' ASP . 53.8 t0 -83.97 11.18 8.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.01 143.18 58.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.502 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -119.43 123.55 44.37 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 110.425 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.739 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.6 mp -94.62 140.45 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.7 ttt -87.62 122.69 31.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.578 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 43.9 t -85.12 110.0 18.66 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -63.03 -8.72 7.96 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.031 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -85.36 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.7 p -103.23 15.58 28.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.732 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.2 mtt-85 42.97 29.18 0.17 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -89.54 136.7 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.61 118.69 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -146.55 167.36 23.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.253 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -91.98 -176.53 42.39 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.213 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -49.63 -11.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.153 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 50' ' ' GLY . 64.4 t0 -66.84 -42.17 86.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.089 0.471 . . . . 0.0 110.551 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 p -100.23 7.15 44.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.921 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -125.48 136.7 53.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.173 0.511 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.3 t -69.05 150.6 47.45 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.034 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -58.95 -40.32 84.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.3 m -62.03 -49.85 74.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.577 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.13 -38.22 81.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.914 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -67.45 -38.95 85.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 t -61.6 -12.86 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.37 -9.88 57.02 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.6 p -66.77 -1.87 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -158.57 161.09 37.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.456 HG23 ' CG1' ' A' ' 73' ' ' VAL . 37.4 p -133.71 170.19 15.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.143 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 122.77 47.31 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 69' ' ' ARG . 57.9 t -130.73 132.65 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.328 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 46.92 28.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.19 25.42 66.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 66' ' ' VAL . 73.9 ttp85 -130.54 131.01 44.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.939 0.4 . . . . 0.0 110.593 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -65.55 129.48 39.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.289 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 64' ' ' THR . 6.3 m -133.92 135.06 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.715 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 90.4 p -81.26 133.23 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.321 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 73' ' ' VAL . 35.4 m -76.7 121.75 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -71.81 9.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.788 0.328 . . . . 0.0 110.632 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 19.0 p-10 -148.89 68.14 9.55 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.33 89.36 1.32 Allowed 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.978 2.452 . . . . 0.0 111.389 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.24 91.89 6.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.7 160.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.079 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 80' ' ' CYS . 94.1 mt -104.18 156.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.492 ' N ' HG22 ' A' ' 79' ' ' ILE . 17.2 p -82.14 169.61 16.43 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -75.35 -23.61 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.644 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.1 m -68.99 -39.17 79.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLN . 61.2 m -78.59 0.55 25.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.287 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.446 ' N ' ' HD2' ' A' ' 85' ' ' PRO . 5.5 mt-30 -36.73 -62.11 0.57 Allowed Pre-proline 0 N--CA 1.469 0.493 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.538 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 84' ' ' GLN . 28.5 Cg_endo -60.43 143.58 99.47 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 122.112 1.874 . . . . 0.0 111.631 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -106.0 154.09 21.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.839 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -115.05 -154.41 0.55 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.329 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -64.11 148.14 50.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -135.02 152.75 52.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.8 m -139.02 157.81 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -126.62 132.55 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -81.77 123.78 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.306 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -91.93 132.61 36.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -91.55 -9.68 43.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.873 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 116' ' ' ARG . . . -93.26 -14.7 26.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.504 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.4 m -124.1 -10.58 7.6 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.273 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 55.18 38.6 30.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -146.77 162.24 38.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -86.04 143.03 28.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -137.64 145.6 42.88 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.197 0.522 . . . . 0.0 111.031 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 165.13 44.21 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.5 -23.23 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.279 . . . . 0.0 110.831 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.52 -41.75 92.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.148 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -83.5 14.9 3.37 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.756 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.2 m-85 -128.29 139.27 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.301 0.572 . . . . 0.0 110.689 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -86.64 174.28 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.533 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.85 -37.97 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.831 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.61 81.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 105' ' ' PHE . 36.0 mt-30 -58.27 -42.07 85.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -81.06 -22.2 39.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -69.11 -38.0 78.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.27 168.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.632 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.555 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -84.8 -9.0 58.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.448 179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -133.97 77.91 61.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.63 141.26 96.81 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.961 2.441 . . . . 0.0 112.087 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 55.7 mtp85 -138.37 127.01 23.49 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.444 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.674 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.6 m -50.85 154.21 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.383 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.01 -10.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.897 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mm -88.95 -36.04 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.674 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 0.1 OUTLIER -77.42 -30.76 53.64 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.713 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 122' ' ' HIS . 18.5 m -67.26 -38.61 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.882 0.372 . . . . 0.0 110.746 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' HG23 ' A' ' 121' ' ' VAL . 49.3 m-70 -87.49 3.23 48.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.728 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.9 t -99.13 -52.13 3.63 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.612 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.512 ' C ' ' H ' ' A' ' 126' ' ' ASN . 78.3 mt-30 -97.36 8.36 44.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.555 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 56.81 3.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.586 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 124' ' ' GLN . 18.4 t-20 . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 43.2 ttm . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.68 39.55 0.57 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.53 -43.6 96.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.55 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.78 135.27 48.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.97 -0.65 57.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.03 4.75 47.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -91.94 1.29 57.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.17 137.2 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 40' ' ' ILE . 1.7 mp -111.2 132.97 53.9 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.003 0.43 . . . . 0.0 110.67 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.743 ' N ' HD12 ' A' ' 40' ' ' ILE . 1.8 mp -96.84 152.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.7 ttt -94.5 129.49 41.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.1 137.74 43.48 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.36 0.6 . . . . 0.0 111.709 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.06 3.84 19.02 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' A' ' 46' ' ' ARG . 27.0 mmt180 -121.36 -90.52 0.58 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.3 p -66.09 2.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 44' ' ' ARG . 88.5 mtm180 41.32 35.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -95.16 114.36 26.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.371 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 t -77.95 114.53 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.357 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -138.93 164.38 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -92.35 -175.17 41.96 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.2 tt -49.93 -9.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 50' ' ' GLY . 30.1 t70 -67.99 -42.65 80.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.043 0.449 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 t -100.0 -2.04 35.52 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.77 126.02 54.36 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -58.06 156.31 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.266 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.63 -47.45 86.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.6 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.7 m -62.49 -44.59 96.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.88 -52.12 58.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -54.17 -35.63 62.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -84.33 -16.77 41.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 63' ' ' PHE . 14.4 ttmm -68.6 -37.05 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.4 p -68.82 12.86 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 61' ' ' LYS . 80.9 m-85 -122.72 147.96 45.87 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -129.58 160.87 31.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.179 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.84 54.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 69' ' ' ARG . 6.3 p -133.89 137.37 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.671 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 48.16 23.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.766 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.72 25.72 57.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' VAL . 36.7 mmt180 -127.11 149.37 49.97 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -81.07 124.39 29.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.365 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.52 137.49 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t -74.53 149.68 40.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.06 130.98 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.256 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.0 p -69.09 -34.89 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.207 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -135.13 75.08 60.93 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.858 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -80.62 142.94 14.73 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.727 2.285 . . . . 0.0 111.954 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -129.11 100.7 5.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.491 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.01 156.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.63 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -104.47 118.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.7 p -50.42 166.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -76.55 -19.32 58.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -75.67 -25.78 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -83.64 -7.5 59.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.404 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.411 ' OE1' ' OE1' ' A' ' 87' ' ' GLN . 51.7 mt-30 -45.77 151.36 0.84 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.596 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 86' ' ' LYS . 43.0 Cg_endo -68.36 104.05 1.03 Allowed 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.49 2.127 . . . . 0.0 112.064 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 85' ' ' PRO . 87.3 tttt 40.73 98.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' OE1' ' A' ' 84' ' ' GLN . 55.8 tt0 -143.78 103.4 4.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -125.25 148.05 48.83 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.11 19.93 4.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.5 t -57.39 170.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -129.99 132.65 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.208 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -87.8 118.19 27.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.007 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 15.5 t -81.99 133.23 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.7 p -88.71 -16.48 32.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.581 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.619 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -86.29 -11.95 50.81 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.474 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 66.6 m -115.29 -35.32 4.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.332 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.7 tp60 80.26 28.89 0.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -141.84 159.18 42.76 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.972 0.415 . . . . 0.0 110.386 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.4 m -78.33 128.14 33.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -121.08 138.24 54.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.89 155.06 21.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -69.19 -36.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.803 0.335 . . . . 0.0 110.643 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.06 -40.45 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -81.23 19.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.759 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.18 152.46 47.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.958 0.409 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -91.09 160.99 15.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.154 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -68.62 -41.39 79.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.888 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.07 86.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.77 ' NE2' ' H ' ' A' ' 116' ' ' ARG . 2.6 mm100 -58.24 -23.93 57.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.362 0.601 . . . . 0.0 110.839 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -79.55 -25.75 41.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.44 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -71.31 -40.65 70.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.97 151.99 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.447 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.81 -29.68 70.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.727 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -121.51 85.87 43.74 Favored Pre-proline 0 N--CA 1.465 0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.479 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.89 145.99 94.98 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.759 2.306 . . . . 0.0 111.976 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.77 ' H ' ' NE2' ' A' ' 109' ' ' GLN . 96.2 mtt180 -127.84 140.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.441 ' C ' ' N ' ' A' ' 119' ' ' ILE . 28.8 p -71.12 149.75 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -50.94 -12.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.625 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 117' ' ' CYS . 15.0 mm -89.28 -42.14 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.81 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.6 m -66.63 -33.32 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 122' ' ' HIS . 10.4 m -72.67 -41.97 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.514 ' N ' HG23 ' A' ' 121' ' ' VAL . 36.5 m-70 -83.66 -6.48 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.434 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.4 t -63.53 -51.92 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.733 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -143.28 38.38 1.4 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 53.85 20.3 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.63 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.505 ' N ' ' SD ' ' A' ' 31' ' ' MET . 3.9 mpp? . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.52 131.16 10.44 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -116.85 109.05 16.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -152.15 -141.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -78.82 -0.59 31.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.601 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 p30 -89.48 11.82 18.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.621 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.29 5.16 24.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.08 134.48 38.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.653 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 40' ' ' ILE . 41.0 mt -126.98 118.76 25.14 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.22 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.777 ' N ' HD12 ' A' ' 40' ' ' ILE . 2.7 mp -102.82 138.99 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.438 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 9.7 ttp -91.53 136.98 32.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 36.9 t -79.72 141.37 36.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.675 0.75 . . . . 0.0 111.753 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 ppp? -81.22 -2.98 50.86 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -89.4 0.55 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.02 0.438 . . . . 0.0 110.891 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.8 p -66.93 -0.9 3.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 79.4 mtp85 46.98 35.49 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -88.57 126.07 35.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.59 126.64 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.413 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' C ' HD23 ' A' ' 39' ' ' LEU . 12.6 mmtt -161.99 172.99 15.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.194 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -93.35 -169.29 39.02 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 tt -52.42 -5.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 50' ' ' GLY . 58.2 t0 -71.82 -48.35 46.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -92.38 -0.41 57.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.843 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.84 126.44 52.41 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -60.67 155.68 18.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.228 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.82 -43.2 99.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -63.57 -49.67 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.42 -41.63 96.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.499 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -63.08 -37.37 86.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 m -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.33 -20.42 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.514 ' OG1' ' CE1' ' A' ' 63' ' ' PHE . 58.3 p -76.59 -2.28 31.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.514 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 79.7 m-85 -123.41 145.31 48.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.972 0.415 . . . . 0.0 110.005 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 73' ' ' VAL . 16.1 p -127.78 158.61 37.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.138 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 120.31 40.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.497 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.49 132.21 68.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.344 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 50.91 27.53 3.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.79 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.0 18.77 78.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -122.79 145.04 48.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.587 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.6 m -77.46 124.0 27.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.224 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.89 134.47 59.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.504 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 m -69.83 141.26 53.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 64' ' ' THR . 73.6 t -66.35 138.66 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.268 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -69.73 -42.67 73.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.27 78.95 75.11 Favored Pre-proline 0 N--CA 1.465 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.37 112.9 3.27 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.574 2.182 . . . . 0.0 112.068 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -116.99 104.56 11.39 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 109.924 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.1 160.84 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 20.4 mm -102.65 114.76 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.465 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 84' ' ' GLN . 9.5 p -54.84 162.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 52' ' ' ASP . 84.8 mtm180 -55.06 -44.04 74.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.496 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -57.98 -45.3 86.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.747 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.9 m -83.31 -14.91 51.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.294 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' CYS . 51.9 tt0 -63.23 129.3 93.38 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.867 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.09 154.01 57.36 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.419 2.079 . . . . 0.0 112.174 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -60.75 -73.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.166 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -138.25 81.74 1.87 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.975 0.417 . . . . 0.0 110.603 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -167.98 119.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.586 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -165.3 78.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.5 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 m -56.8 164.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 85.9 mt -126.75 136.58 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -78.6 126.83 31.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.9 t -106.66 134.98 48.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.149 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.9 p -88.68 -24.94 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.288 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -35.46 74.21 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.775 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 85.7 m -101.0 -18.16 16.41 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 57.96 32.61 22.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.12 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -144.2 163.78 32.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.9 m -72.79 133.86 44.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -129.2 133.09 47.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.565 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.95 160.47 15.3 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.0 tt -72.84 -35.46 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.488 -0.356 . . . . 0.0 110.939 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -57.08 -40.65 77.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.343 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -84.41 29.83 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.426 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -138.27 158.11 44.94 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.157 0.503 . . . . 0.0 110.687 -179.843 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.8 t -92.64 168.77 11.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.359 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -76.89 -42.11 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.175 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.79 74.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -54.43 -31.89 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.149 0.5 . . . . 0.0 110.334 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -77.74 -7.14 56.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.142 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -92.84 -38.31 11.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.47 157.27 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.345 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.82 -36.44 83.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.732 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -115.72 101.38 54.14 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.046 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.73 134.84 12.39 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 122.236 1.957 . . . . 0.0 111.811 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.444 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 81.5 mtt-85 -129.26 140.28 51.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.595 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.418 ' N ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 m -53.73 148.98 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.14 -20.07 16.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.1 mm -88.97 -20.03 7.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 96.4 m -83.5 -31.3 26.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 122' ' ' HIS . 33.7 m -76.09 -44.38 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.526 ' N ' HG23 ' A' ' 121' ' ' VAL . 32.3 m170 -80.86 3.34 22.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.379 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.9 t -66.57 -78.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -137.32 -36.11 0.66 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.593 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -137.07 150.71 48.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.524 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.82 10.34 81.31 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -148.08 158.69 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.675 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -65.53 117.97 8.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 65.0 t0 -63.23 -30.46 71.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' ALA . 7.5 m-20 -61.14 -40.28 93.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.542 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -70.2 37.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.577 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' ASN . . . -78.41 179.23 7.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 49' ' ' LYS . 83.1 mt -135.37 108.59 7.75 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.418 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.3 mm -104.71 143.79 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 ttt -89.84 134.44 34.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -77.62 136.43 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.214 0.53 . . . . 0.0 110.612 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ptm -79.39 3.41 18.45 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.549 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.47 -91.87 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.486 ' SG ' ' CG ' ' A' ' 47' ' ' LYS . 30.2 p -63.84 -8.95 12.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.905 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 56.2 36.12 26.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 45' ' ' CYS . 40.3 mmtm -94.88 116.68 29.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.1 t -83.39 131.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.534 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' C ' HD23 ' A' ' 39' ' ' LEU . 6.1 tptm -168.8 178.19 4.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.404 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -105.64 -167.18 23.54 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.326 -0.709 . . . . 0.0 111.326 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.3 tt -54.54 -2.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 120.944 0.402 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 50' ' ' GLY . 20.8 p-10 -72.67 -55.97 6.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.989 0.423 . . . . 0.0 110.592 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -96.05 4.69 52.4 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.468 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.91 121.23 40.86 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.412 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 28.9 t -41.02 142.49 0.49 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.625 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.46 -41.52 98.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.71 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.9 p -60.41 -42.11 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.64 -37.36 87.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.94 -40.7 89.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.989 0.423 . . . . 0.0 110.797 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.2 m -62.97 -23.53 67.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.82 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.66 -24.97 41.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 73' ' ' VAL . 63.5 p -67.77 -11.72 59.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.042 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -106.98 179.97 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -154.96 155.41 34.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.271 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.4 129.61 56.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.8 p -134.8 132.85 54.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 43.32 29.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.022 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.39 27.02 58.36 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 66' ' ' VAL . 99.5 mtt180 -124.48 140.18 53.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.315 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -77.47 126.3 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 64' ' ' THR . 28.0 m -138.15 152.17 25.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.406 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.5 m -87.58 147.12 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.497 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 62' ' ' THR . 76.4 t -67.03 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 39.0 t -61.48 -44.49 96.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 74' ' ' SER . 29.4 m-20 -133.51 79.81 58.94 Favored Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.45 109.26 0.37 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.534 2.156 . . . . 0.0 112.158 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -115.95 94.65 4.76 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.534 0.683 . . . . 0.0 109.993 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.42 161.61 14.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.929 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.7 mt -94.71 151.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.246 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.516 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 9.0 p -87.94 179.58 6.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.132 0.491 . . . . 0.0 110.802 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' NH1' ' O ' ' A' ' 52' ' ' ASP . 99.7 mtt180 -66.96 -55.9 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.516 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 72.6 p -48.84 -45.69 41.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.77 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.2 m -75.56 -16.8 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.734 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -127.42 70.36 75.97 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.56 121.83 6.59 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.67 2.247 . . . . 0.0 111.987 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 63.3 mttp -63.84 -38.43 91.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.645 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' LYS . 5.0 tp-100 77.84 13.82 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -67.83 -37.64 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.435 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 90' ' ' SER . 55.7 t0 -142.92 135.6 27.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.345 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 15.2 p -143.23 164.95 28.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.3 mt -126.69 130.03 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.326 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -85.69 111.47 20.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 26.9 t -73.89 132.82 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 p -89.42 -16.57 30.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.583 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -85.67 -11.57 53.46 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 85.0 m -117.05 -36.49 3.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 34.8 tt0 82.42 32.47 0.09 Allowed 'General case' 0 N--CA 1.461 0.092 0 O-C-N 123.617 0.573 . . . . 0.0 110.246 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -145.47 159.06 43.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.501 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.7 m -72.6 134.35 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' A' ' 104' ' ' GLU . 12.5 tptp -125.28 134.93 52.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.565 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.04 155.48 30.76 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.98 -36.51 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -56.3 -44.01 79.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.743 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 100' ' ' LYS . 96.6 mt-10 -84.16 22.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.655 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' ' C ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -126.1 145.91 50.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.628 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 118' ' ' GLN . 10.0 m -81.95 146.8 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.34 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.77 -39.02 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.782 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.23 89.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.833 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.938 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.2 mt-30 -63.41 -53.57 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -39.73 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 0.0 110.755 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 109' ' ' GLN . 78.6 t60 -65.99 -40.86 91.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.851 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.938 HG22 ' O ' ' A' ' 109' ' ' GLN . 20.5 m -61.16 157.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.733 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.22 -22.03 62.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 114' ' ' ASP . 26.0 p-10 -125.32 81.36 63.94 Favored Pre-proline 0 N--CA 1.467 0.386 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.364 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.73 142.59 82.65 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 111.97 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.47 ' C ' ' CZ ' ' A' ' 105' ' ' PHE . 96.1 mtt-85 -126.09 141.18 52.06 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 119' ' ' ILE . 25.3 p -75.16 153.52 38.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.532 ' NE2' ' OG ' ' A' ' 106' ' ' SER . 95.5 mm-40 -50.88 -12.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.912 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.6 mp -89.97 -40.18 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' ' 95' ' ' ALA . 4.8 m -68.57 -34.56 76.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.018 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 122' ' ' HIS . 11.5 m -70.86 -42.06 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.703 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.518 ' N ' HG23 ' A' ' 121' ' ' VAL . 39.8 t-80 -75.36 -1.52 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.579 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.496 ' OG ' ' N ' ' A' ' 124' ' ' GLN . 67.3 p -99.09 -69.2 0.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.718 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.496 ' N ' ' OG ' ' A' ' 123' ' ' SER . 78.4 mt-30 -92.3 38.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.516 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 43.89 -94.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 124' ' ' GLN . 25.8 t-20 . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.501 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.524 ' N ' ' SD ' ' A' ' 31' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -166.76 118.56 0.8 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.64 -43.39 96.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.879 0.371 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -75.38 97.94 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.437 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 31.5 p-10 -91.28 -1.49 57.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -64.18 -38.64 91.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 p30 -78.64 7.19 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.22 154.47 31.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 49' ' ' LYS . 35.9 mt -113.27 131.42 55.93 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.824 0.345 . . . . 0.0 110.215 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -101.0 127.77 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.485 ' CE ' ' HE ' ' A' ' 46' ' ' ARG . 24.0 ttt -89.88 131.92 35.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.061 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 6.4 t -86.02 129.93 34.69 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 122.039 0.923 . . . . 0.0 111.5 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptm -79.98 5.39 14.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -118.22 -89.23 0.6 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.566 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.3 p -67.69 -17.17 64.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HE ' ' CE ' ' A' ' 41' ' ' MET . 47.0 ttt180 66.47 36.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.586 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -90.61 117.0 28.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.88 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.51 122.4 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.429 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' C ' HD23 ' A' ' 39' ' ' LEU . 10.7 mmtp -151.92 170.52 19.65 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.787 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 52' ' ' ASP . . . -90.07 -174.67 45.25 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.6 tt -53.4 -7.87 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 50' ' ' GLY . 96.6 m-20 -69.31 -44.68 71.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.405 0.622 . . . . 0.0 110.769 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.1 p -91.53 4.18 53.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 40' ' ' ILE . 5.4 m-85 -126.47 138.45 53.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.751 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 t -72.85 159.27 34.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.501 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.69 -39.8 89.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.3 m -62.53 -50.4 71.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.757 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -67.18 -45.17 77.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.446 ' HD1' HD11 ' A' ' 40' ' ' ILE . 70.8 t90 -62.66 -37.75 87.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.982 0.42 . . . . 0.0 110.623 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.4 m -57.04 -14.45 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 73' ' ' VAL . 97.1 mttt -85.79 -11.39 53.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.7 p -65.27 -13.18 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.488 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -142.8 152.93 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -122.94 166.6 14.8 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.54 118.2 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.66 134.01 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.567 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 52.73 25.4 3.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.86 25.07 65.42 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.468 HH11 ' HD3' ' A' ' 69' ' ' ARG . 35.1 mtp-105 -132.07 152.92 50.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -81.9 125.13 30.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 m -131.25 132.84 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.762 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -68.38 141.16 55.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 75' ' ' ASP . 73.8 t -68.58 142.58 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.0 m -58.89 -43.66 90.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.854 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.501 ' H ' HG12 ' A' ' 73' ' ' VAL . 41.5 t0 -145.82 86.63 7.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.378 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -55.91 116.13 2.95 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.557 2.171 . . . . 0.0 111.974 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -117.34 95.35 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.439 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.21 162.83 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.833 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.69 144.82 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.453 ' SG ' ' OG1' ' A' ' 82' ' ' THR . 4.3 p -89.02 163.34 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' GLN . 99.7 mtt180 -58.01 -52.02 67.24 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.733 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.453 ' OG1' ' SG ' ' A' ' 80' ' ' CYS . 4.6 p -49.25 -38.73 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m -82.72 -11.31 58.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.12 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' ARG . 24.4 tt0 -109.42 71.59 0.51 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.739 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.18 -17.86 45.25 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.728 2.285 . . . . 0.0 111.781 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.83 140.63 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.323 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -170.44 16.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -66.9 -35.53 80.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 90' ' ' SER . 67.5 t0 -58.01 134.43 56.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 87.5 p -140.28 163.68 32.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.3 mt -126.29 131.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.205 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -80.62 126.81 31.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.4 t -104.22 135.75 45.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.8 p -98.56 -5.62 31.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.401 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.72 -20.76 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 97' ' ' GLN . 74.7 m -113.01 -34.74 5.64 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.444 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 8.6 tt0 81.79 30.43 0.13 Allowed 'General case' 0 N--CA 1.461 0.097 0 O-C-N 123.444 0.465 . . . . 0.0 110.729 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -142.44 157.78 44.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.382 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 62.2 m -81.15 119.12 23.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -111.7 139.56 47.06 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.66 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.02 163.55 24.97 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.433 ' CG1' ' NH2' ' A' ' 110' ' ' ARG . 17.5 tt -74.68 -29.37 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.95 -42.2 97.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.785 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 104' ' ' GLU . 15.5 pt-20 -82.62 16.8 2.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.94 137.6 53.71 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.124 0.488 . . . . 0.0 110.426 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.5 p -84.23 171.97 12.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.506 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -72.31 -38.0 68.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.605 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.13 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 116' ' ' ARG . 20.1 mt-30 -69.67 -9.18 53.25 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.227 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.433 ' NH2' ' CG1' ' A' ' 102' ' ' ILE . 39.3 ttm180 -89.65 -36.76 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.83 0.348 . . . . 0.0 110.585 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -71.16 -43.79 66.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.7 m -47.8 144.73 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.67 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.9 tp -65.16 -23.04 67.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -119.6 85.2 32.08 Favored Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.034 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.43 139.2 74.54 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.632 2.222 . . . . 0.0 112.351 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.535 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 80.3 mtp85 -134.48 113.62 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.443 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.678 ' N ' ' SG ' ' A' ' 120' ' ' CYS . 1.5 m -52.02 152.51 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.4 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.512 ' NE2' ' OE1' ' A' ' 109' ' ' GLN . 95.8 mm-40 -48.3 -11.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.821 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 119' ' ' ILE . 1.7 mp -89.39 -61.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.678 ' SG ' ' N ' ' A' ' 117' ' ' CYS . 1.4 p -59.84 -37.6 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.958 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.632 HG13 ' N ' ' A' ' 122' ' ' HIS . 10.6 p -71.9 -48.68 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.632 ' N ' HG13 ' A' ' 121' ' ' VAL . 55.2 t-80 -64.69 8.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.62 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 121' ' ' VAL . 8.0 t -111.38 -70.06 0.83 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.673 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -90.11 -5.12 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 54.26 -179.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.401 -179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_