data_2mx0_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 2mx0 _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 ' 4' ' ' LYS . . . . . 0.617 ' HE3' ' HD2' ' A' ' 33' ' ' ARG . 74.1 mmtt . . . . . 0 N--CA 1.444 -0.759 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 5' ' ' LEU . 1.7 pp -137.01 155.24 49.95 Favored 'General case' 0 CA--C 1.468 -2.199 0 C-N-CA 115.427 -2.509 . . . . 0.0 113.357 -170.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.31 133.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 127.292 2.87 . . . . 0.0 103.588 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.86 HD21 ' HB2' ' A' ' 38' ' ' PHE . 95.9 mt -115.39 138.92 50.48 Favored 'General case' 0 C--O 1.16 -3.641 0 CA-C-N 122.105 2.229 . . . . 0.0 107.461 173.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . . . -64.47 143.41 57.93 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 127.5 2.32 . . . . 0.0 112.868 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.884 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -81.03 -20.22 42.19 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 177.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -62.02 -40.26 95.08 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 121.139 1.791 . . . . 0.0 110.414 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 CA--C 1.49 -1.351 0 O-C-N 118.384 -2.698 . . . . 0.0 105.884 -167.147 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.79 -34.4 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 O-C-N 126.562 2.414 . . . . 0.0 114.558 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' HG2' ' N ' ' A' ' 21' ' ' LEU . 15.1 pm0 -62.52 -38.53 90.31 Favored 'General case' 0 C--O 1.199 -1.559 0 O-C-N 119.239 -2.163 . . . . 0.0 106.218 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 89.6 mt -66.61 -44.27 82.56 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 118.36 -2.713 . . . . 0.0 107.291 -164.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.59 -42.19 98.3 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.91 -36.94 82.81 Favored 'General case' 0 CA--C 1.467 -2.24 0 C-N-CA 115.889 -2.324 . . . . 0.0 107.842 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 10.9 mp -55.58 -63.66 1.1 Allowed 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 123.559 0.744 . . . . 0.0 112.049 -175.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -59.6 -46.34 89.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -78.48 -39.82 37.21 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 125.619 1.824 . . . . 0.0 114.218 -165.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.53 -42.93 97.5 Favored 'General case' 0 CA--C 1.467 -2.224 0 C-N-CA 126.888 2.075 . . . . 0.0 108.709 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.651 ' CG ' HD12 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.93 -57.07 13.15 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 127.197 2.199 . . . . 0.0 112.287 178.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -61.4 -46.44 90.14 Favored 'General case' 0 CA--C 1.469 -2.144 0 O-C-N 125.542 1.776 . . . . 0.0 108.883 -172.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -71.57 -45.76 61.34 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 127.286 2.866 . . . . 0.0 115.422 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -151.86 152.59 32.8 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 119.691 -1.88 . . . . 0.0 114.811 -166.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' HG2' HG23 ' A' ' 81' ' ' ILE . 98.3 mttt -93.73 107.52 19.39 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 117.188 -3.445 . . . . 0.0 113.591 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.85 ' HG3' ' H ' ' A' ' 34' ' ' SER . 24.7 tpp180 -170.07 -178.66 2.92 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 117.591 -3.193 . . . . 0.0 105.974 -135.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.85 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t -166.63 160.99 15.55 Favored 'General case' 0 C--N 1.266 -3.046 1 O-C-N 115.712 -4.367 . . . . 0.0 100.959 -155.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 80' ' ' HIS . 47.4 pt -146.68 171.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 39.3 m-85 -124.1 118.7 27.5 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HD1' ' N ' ' A' ' 38' ' ' PHE . 1.1 t80 -88.55 114.88 25.62 Favored 'General case' 0 CA--C 1.611 3.322 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 165.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.86 ' HB2' HD21 ' A' ' 7' ' ' LEU . 90.7 m-85 -91.99 97.86 11.21 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 129.181 2.993 . . . . 0.0 111.044 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . . . -139.82 146.12 45.78 Favored Pre-proline 0 C--N 1.296 -1.724 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.243 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.621 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -69.7 151.31 69.39 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 115.174 -2.75 . . . . 0.0 111.724 -121.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.451 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 99.7 m -64.08 -44.87 91.07 Favored 'General case' 0 CA--C 1.466 -2.271 0 O-C-N 126.037 2.085 . . . . 0.0 114.258 163.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -67.65 -45.31 75.67 Favored 'General case' 0 C--O 1.157 -3.8 1 C-N-CA 132.814 4.446 . . . . 0.0 116.183 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.41 -35.59 9.86 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 116.742 -3.724 . . . . 0.0 115.418 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 41' ' ' THR . 83.0 m-70 65.63 24.7 11.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.151 2.98 . . . . 0.0 110.48 -167.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.19 -51.35 4.86 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -171.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 88.2 m-20 -61.04 -37.93 84.36 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 125.213 1.571 . . . . 0.0 106.799 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.534 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.5 ttp -64.46 -44.96 89.41 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.57 -36.57 84.22 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.64 -34.21 77.32 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.17 90.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.19 -44.81 96.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.8 -41.93 99.49 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.202 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.81 -43.28 96.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 117.888 0.313 . . . . 0.0 111.343 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 63' ' ' LEU . 14.2 m-85 -65.62 -37.24 86.01 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 125.474 1.733 . . . . 0.0 110.752 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.55 -45.37 94.14 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.711 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.06 -38.15 85.17 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 116.299 -1.81 . . . . 0.0 113.088 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' HD3' ' HE2' ' A' ' 59' ' ' HIS . 99.4 mttt -112.93 140.6 47.6 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 125.247 1.592 . . . . 0.0 114.647 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.36 13.94 65.11 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 127.414 2.435 . . . . 0.0 116.111 -162.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.476 ' HE2' ' HD3' ' A' ' 57' ' ' LYS . 91.7 m-70 -61.37 -25.09 66.94 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 129.18 2.992 . . . . 0.0 106.446 -169.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.7 p -77.87 -149.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 104.247 -2.501 . . . . 0.0 104.247 -135.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.96 -44.61 1.77 Allowed 'General case' 0 C--N 1.285 -2.203 1 O-C-N 113.929 -5.482 . . . . 0.0 110.239 119.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' HD2' HG23 ' A' ' 82' ' ' ILE . 83.2 m-85 -145.75 156.19 43.45 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.883 1.365 . . . . 0.0 113.033 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.733 HD13 ' CE2' ' A' ' 54' ' ' PHE . 4.6 tt -133.18 137.94 46.38 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 156.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' N ' HD22 ' A' ' 63' ' ' LEU . 49.5 t0 -150.58 162.14 41.22 Favored 'General case' 0 C--N 1.372 1.567 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.0 166.12 4.92 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 117.69 -3.131 . . . . 0.0 112.353 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.518 HG11 ' H ' ' A' ' 68' ' ' VAL . 99.4 t -97.46 131.36 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 117.964 -1.494 . . . . 0.0 110.874 145.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.469 ' HA ' ' H ' ' A' ' 69' ' ' SER . 39.6 mmt180 -87.45 57.07 4.22 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.518 ' H ' HG11 ' A' ' 66' ' ' VAL . 34.1 m -97.36 13.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 C-N-CA 127.931 2.493 . . . . 0.0 107.552 131.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 95.0 p -62.34 -46.19 89.81 Favored 'General case' 0 CA--C 1.479 -1.755 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -58.83 -41.64 87.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.625 1.17 . . . . 0.0 108.435 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.26 -42.03 62.98 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 127.073 2.149 . . . . 0.0 116.772 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -119.13 -41.82 2.72 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -171.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.8 mttt 50.64 31.09 5.4 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 127.984 2.514 . . . . 0.0 114.972 -166.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 75' ' ' PHE . 32.5 p-10 -91.52 -2.42 57.19 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 171.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 1.2 t80 -134.61 108.39 8.03 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 122.522 2.419 . . . . 0.0 108.246 -134.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.534 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 96.4 mt -109.88 127.65 54.85 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.082 -1.636 . . . . 0.0 111.676 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -101.5 119.71 39.19 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 119.943 -1.723 . . . . 0.0 106.384 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' OE1' ' C ' ' A' ' 78' ' ' GLU . 6.5 tm-20 -133.41 123.4 25.25 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.095 -1.628 . . . . 0.0 107.646 -159.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 3.6 mp -117.09 133.1 56.42 Favored 'General case' 0 CA--C 1.483 -1.604 0 CA-C-O 116.822 -1.561 . . . . 0.0 110.461 -168.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 35' ' ' ILE . 98.5 m-70 -113.37 130.25 56.33 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -169.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.651 HD12 ' CG ' ' A' ' 28' ' ' PHE . 71.1 mt 41.64 48.5 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.165 0 C-N-CA 115.347 -2.541 . . . . 0.0 116.753 -170.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 62' ' ' TYR . 11.2 tp . . . . . 0 C--O 1.167 -3.274 0 O-C-N 118.035 -2.916 . . . . 0.0 113.302 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.581 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 94.8 mttt . . . . . 0 CA--C 1.497 -1.089 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.52 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 36' ' ' PHE . 2.7 pp -145.94 154.43 41.91 Favored 'General case' 0 N--CA 1.405 -2.692 0 C-N-CA 117.007 -1.877 . . . . 0.0 112.554 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.632 HG21 HG12 ' A' ' 19' ' ' VAL . 53.3 t -125.23 104.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.617 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' A' ' 38' ' ' PHE . 88.8 mt -71.59 142.39 50.0 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 124.212 1.958 . . . . 0.0 112.622 164.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . . . -60.82 140.81 57.52 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.49 153.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.8 -48.67 77.43 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 159.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.636 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 98.4 m-20 -63.75 -42.54 97.84 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.23 -0.89 . . . . 0.0 112.896 -152.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 40' ' ' PRO . 34.8 p . . . . . 0 C--O 1.213 -0.835 0 CA-C-N 120.32 1.418 . . . . 0.0 113.806 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.632 HG12 HG21 ' A' ' 6' ' ' VAL . 9.5 p -64.55 -35.79 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 C-N-CA 129.007 2.923 . . . . 0.0 109.16 -172.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -46.41 85.01 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.522 HD21 ' HD2' ' A' ' 57' ' ' LYS . 93.0 mt -62.25 -46.97 86.46 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.22 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.89 -40.46 97.61 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' OD2' HG23 ' A' ' 19' ' ' VAL . 99.2 m-20 -68.11 -33.02 73.74 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.605 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 83.3 mt -58.03 -51.9 67.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 119.927 1.24 . . . . 0.0 109.029 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -60.64 -44.77 95.99 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.934 0.873 . . . . 0.0 110.104 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -85.48 -36.41 20.58 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 120.003 -1.686 . . . . 0.0 112.928 -169.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' OE2' ' HD2' ' A' ' 33' ' ' ARG . 48.3 mt-10 -60.29 -42.99 96.63 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.2 t80 -61.17 -48.81 79.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 117.797 0.271 . . . . 0.0 110.728 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -66.07 -41.34 90.9 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.62 -57.38 3.48 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.76 1.266 . . . . 0.0 108.329 -167.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -136.09 156.69 48.34 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 127.008 2.123 . . . . 0.0 114.742 -161.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HE2' HD12 ' A' ' 81' ' ' ILE . 98.4 mttt -108.99 123.74 49.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 116.71 -3.744 . . . . 0.0 113.593 169.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.593 ' HG2' ' H ' ' A' ' 34' ' ' SER . 32.0 ttm180 -166.18 172.57 11.09 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 119.884 -1.76 . . . . 0.0 110.263 -140.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.632 ' HB2' HD23 ' A' ' 79' ' ' LEU . 86.6 p -133.22 159.01 41.43 Favored 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 118.574 -2.579 . . . . 0.0 108.445 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 78' ' ' GLU . 16.8 tt -123.83 147.68 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.968 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.612 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -101.2 124.01 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 129.0 2.92 . . . . 0.0 112.301 160.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.649 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 77.4 t80 -119.17 118.38 31.19 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.155 -1.591 . . . . 0.0 112.282 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 30.3 m-85 -112.48 85.0 2.07 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 127.693 2.397 . . . . 0.0 108.59 -161.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -132.88 140.39 37.5 Favored Pre-proline 0 CA--C 1.492 -1.262 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.06 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.636 ' HG2' ' HB2' ' A' ' 10' ' ' ASN . 99.8 Cg_exo -60.38 143.96 99.5 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 N-CA-C 115.847 1.441 . . . . 0.0 115.847 -129.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.5 m -64.53 -38.68 91.86 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 123.132 1.444 . . . . 0.0 110.435 166.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -68.47 -40.19 81.11 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.201 1.4 . . . . 0.0 113.006 -167.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.53 -32.1 7.02 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 63.09 24.89 14.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.497 2.719 . . . . 0.0 114.194 -170.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -92.0 -56.55 3.03 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 124.58 1.152 . . . . 0.0 113.84 -163.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 80.5 m-20 -62.2 -35.9 80.28 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.633 174.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.464 ' HA ' ' HE2' ' A' ' 37' ' ' TYR . 63.7 ttp -64.53 -42.93 95.43 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.54 -42.12 91.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.387 0.675 . . . . 0.0 110.549 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.95 -39.74 90.66 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -59.49 -39.91 85.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.826 1.25 . . . . 0.0 112.343 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.68 -44.25 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 121.356 -0.84 . . . . 0.0 111.398 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -63.59 -42.74 98.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -57.53 -40.31 78.51 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 119.043 0.838 . . . . 0.0 112.466 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.63 ' HE1' HG22 ' A' ' 60' ' ' THR . 44.9 t80 -67.88 -42.76 80.74 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 -167.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.61 -44.26 97.32 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.206 -1.816 . . . . 0.0 111.154 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -57.61 -46.36 84.17 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 115.734 -2.079 . . . . 0.0 110.632 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.522 ' HD2' HD21 ' A' ' 21' ' ' LEU . 98.8 mttt -117.86 142.34 47.42 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 127.939 2.496 . . . . 0.0 115.802 -166.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.51 31.89 7.05 Favored Glycine 0 C--O 1.204 -1.73 0 C-N-CA 129.133 3.254 . . . . 0.0 118.97 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.1 m-70 -96.99 -39.76 9.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.608 2.704 . . . . 0.0 117.014 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.63 HG22 ' HE1' ' A' ' 54' ' ' PHE . 82.7 m -63.1 153.19 34.96 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 126.103 2.859 . . . . 0.0 112.667 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.531 ' N ' HG21 ' A' ' 60' ' ' THR . . . -76.72 -42.2 42.25 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 117.388 -3.32 . . . . 0.0 114.062 166.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.589 ' H ' HG21 ' A' ' 60' ' ' THR . 62.9 t80 -157.23 154.41 29.14 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -177.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 62.5 tp -123.09 125.31 44.95 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.573 -0.705 . . . . 0.0 109.579 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 52.4 t0 -142.03 155.94 45.42 Favored 'General case' 0 C--N 1.365 1.251 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 160.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.51 153.2 23.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 69' ' ' SER . 19.8 m -71.65 159.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 124.611 2.148 . . . . 0.0 107.913 158.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -101.51 8.49 41.95 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.885 2.474 . . . . 0.0 112.905 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -77.97 -0.47 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.205 147.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.551 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 56.8 p -62.41 -38.29 89.11 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 -171.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 m -62.08 -40.11 94.71 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.742 0.782 . . . . 0.0 111.548 -169.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.84 -56.05 18.27 Favored 'General case' 0 N--CA 1.414 -2.229 0 CA-C-N 112.559 -2.109 . . . . 0.0 115.987 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -125.75 -21.9 4.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 121.417 -0.802 . . . . 0.0 112.715 -153.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 70.4 mmtt 55.02 43.16 30.24 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 175.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.2 -46.83 4.5 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.194 -1.402 . . . . 0.0 114.208 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m-85 -109.42 128.6 55.27 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 122.317 1.056 . . . . 0.0 109.316 -152.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 92.2 mt -96.57 141.62 29.61 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 119.952 -1.718 . . . . 0.0 110.321 161.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.03 101.76 10.03 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.633 ' HB3' HG22 ' A' ' 35' ' ' ILE . 86.9 tt0 -114.98 140.99 48.59 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 34' ' ' SER . 96.4 mt -124.38 122.23 37.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 42.7 m170 -109.47 124.76 51.59 Favored 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 119.319 -2.113 . . . . 0.0 110.123 -157.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.585 HD12 ' HE2' ' A' ' 32' ' ' LYS . 93.9 mt 45.65 -45.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.617 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.742 -155.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 33' ' ' ARG . 41.4 pt . . . . . 0 C--O 1.209 -1.048 0 CA-C-N 125.102 3.592 . . . . 0.0 112.734 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.516 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 95.5 mttt . . . . . 0 C--O 1.213 -0.828 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.54 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 46.9 mt -124.33 149.58 46.42 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 20' ' ' GLU . 83.6 t -123.42 144.24 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 125.683 1.864 . . . . 0.0 107.394 162.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 38' ' ' PHE . 82.5 mt -108.98 148.41 30.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.974 1.369 . . . . 0.0 109.906 174.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 158.47 21.7 Favored 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 124.782 1.233 . . . . 0.0 111.732 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.814 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -86.17 -26.15 25.3 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 118.852 -2.405 . . . . 0.0 113.464 166.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -64.81 -38.86 92.41 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 123.379 2.809 . . . . 0.0 111.893 -154.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 CA--C 1.5 -0.95 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.392 -168.673 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.97 -40.85 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 125.936 1.694 . . . . 0.0 112.021 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.592 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 27.5 tp10 -61.3 -43.41 98.92 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' HA ' HD11 ' A' ' 24' ' ' LEU . 77.2 mt -56.76 -48.65 77.38 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.301 -1.499 . . . . 0.0 113.434 -172.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.72 -39.1 90.83 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -68.93 -31.84 71.02 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-N 120.553 1.524 . . . . 0.0 109.197 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.828 ' CD2' ' HE2' ' A' ' 80' ' ' HIS . 43.3 mt -53.18 -57.29 10.97 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 119.041 0.837 . . . . 0.0 109.196 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.87 -50.13 70.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.718 1.247 . . . . 0.0 111.14 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 39.3 t-80 -67.68 -46.76 71.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.512 -172.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.34 -40.75 98.15 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -65.93 -44.13 86.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.963 1.305 . . . . 0.0 112.19 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE1' ' CE1' ' A' ' 26' ' ' HIS . 84.1 tt0 -78.55 -46.35 19.68 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.166 0.587 . . . . 0.0 110.769 -175.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.68 165.49 27.26 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.627 1.203 . . . . 0.0 112.929 -170.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -114.78 104.3 11.82 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.693 -1.255 . . . . 0.0 113.929 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 35.6 ttm180 -157.21 161.3 39.26 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.711 -0.618 . . . . 0.0 112.352 -142.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 55.3 p -126.17 153.04 45.18 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HA ' HD11 ' A' ' 35' ' ' ILE . 37.2 mm -114.94 145.71 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 128.892 2.877 . . . . 0.0 110.31 -171.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.54 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 62.0 m-85 -108.02 127.93 54.2 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.625 160.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.567 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 71.2 t80 -110.04 112.73 24.91 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -169.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.7 t80 -101.96 105.61 16.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 122.26 1.029 . . . . 0.0 108.758 -172.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.8 141.59 14.78 Favored Pre-proline 0 N--CA 1.443 -0.823 0 O-C-N 120.394 -1.441 . . . . 0.0 113.721 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 62.9 Cg_exo -62.47 143.53 93.35 Favored 'Trans proline' 0 N--CA 1.442 -1.545 0 C-N-CA 118.015 -0.857 . . . . 0.0 112.819 -118.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 m -56.12 -41.77 75.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.546 2.117 . . . . 0.0 108.483 164.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.9 -41.08 75.19 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 112.273 -2.239 . . . . 0.0 111.852 -168.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 -26.42 6.01 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 119.032 -1.067 . . . . 0.0 112.21 -172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 55.71 32.17 18.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.152 1.381 . . . . 0.0 111.157 -170.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -97.11 -54.11 3.28 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 120.885 -1.135 . . . . 0.0 113.853 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 97.6 m-20 -59.3 -34.9 72.87 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.705 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.3 ttp -71.11 -44.63 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.759 1.223 . . . . 0.0 113.761 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.99 -41.23 97.81 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.66 -35.42 77.92 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -60.19 -41.99 94.11 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -54.35 -42.13 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-O 122.345 1.069 . . . . 0.0 109.442 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.31 -44.12 76.14 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 114.254 -1.339 . . . . 0.0 114.057 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -53.86 -38.84 65.12 Favored 'General case' 0 N--CA 1.428 -1.532 0 O-C-N 124.351 1.032 . . . . 0.0 110.362 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.613 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 12.8 m-85 -77.18 -35.56 55.75 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-O 122.842 1.306 . . . . 0.0 108.685 -158.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.97 -37.93 82.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 CA-C-O 114.131 -2.842 . . . . 0.0 112.076 168.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.27 -27.1 66.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 122.051 2.205 . . . . 0.0 115.158 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -114.53 143.43 44.99 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.899 -1.126 . . . . 0.0 113.921 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.95 -31.2 80.14 Favored Glycine 0 CA--C 1.552 2.387 0 N-CA-C 119.118 2.407 . . . . 0.0 119.118 -171.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -64.99 -42.42 94.53 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 120.879 2.34 . . . . 0.0 116.953 -147.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.53 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 9.9 t -57.1 146.15 28.58 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.469 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.25 -59.05 2.4 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 169.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 97.4 m-85 -131.65 158.29 41.46 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.035 -172.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 48.6 tp -134.63 128.95 34.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 164.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -140.69 162.42 35.45 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.982 1.313 . . . . 0.0 113.177 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -93.57 144.33 25.48 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 118.335 -2.728 . . . . 0.0 109.63 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.522 HG11 HG23 ' A' ' 68' ' ' VAL . 60.7 t -84.76 138.93 18.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 120.595 -1.316 . . . . 0.0 110.181 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 26.1 mmm180 -103.57 25.72 9.36 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 120.321 -1.487 . . . . 0.0 114.241 -174.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 HG11 ' A' ' 66' ' ' VAL . 20.2 m -82.96 22.55 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.519 1.628 . . . . 0.0 109.855 139.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.4 ' HG ' ' HA ' ' A' ' 67' ' ' ARG . 19.7 p -62.16 -31.23 71.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.889 -1.757 . . . . 0.0 112.724 171.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -60.69 -41.05 94.36 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -77.17 -35.1 56.17 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 114.262 -2.78 . . . . 0.0 118.386 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -131.52 -42.37 1.05 Allowed 'General case' 0 N--CA 1.481 1.107 0 O-C-N 126.446 2.341 . . . . 0.0 113.806 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.0 tttt 49.92 38.18 15.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.189 1.795 . . . . 0.0 111.651 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -123.83 5.04 8.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.682 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -108.64 124.09 49.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.858 1.208 . . . . 0.0 113.617 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 69.6 mt -88.33 147.26 24.85 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.618 152.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 56.0 t80 -105.45 110.57 22.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.482 1.913 . . . . 0.0 105.855 162.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.53 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 74.1 tt0 -114.82 148.32 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD2' ' HB2' ' A' ' 62' ' ' TYR . 1.2 pt? -134.88 136.53 42.46 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.384 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.828 ' HE2' ' CD2' ' A' ' 24' ' ' LEU . 75.4 m80 -108.16 122.87 47.8 Favored 'General case' 0 CA--C 1.495 -1.154 0 O-C-N 124.5 1.125 . . . . 0.0 109.201 -167.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 81' ' ' ILE . 20.1 tt 20.21 82.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 126.131 2.144 . . . . 0.0 115.088 -156.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 tt . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 124.862 1.265 . . . . 0.0 114.228 165.616 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HA ' HH22 ' A' ' 33' ' ' ARG . 99.4 mttt . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.552 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 77.5 mt -125.96 151.04 47.55 Favored 'General case' 0 CA--C 1.475 -1.933 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.583 HG13 ' HB2' ' A' ' 20' ' ' GLU . 59.8 t -124.57 142.53 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 O-C-N 125.694 1.871 . . . . 0.0 107.083 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.3 143.0 37.75 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.684 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -57.02 155.21 8.5 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 125.147 1.379 . . . . 0.0 111.125 159.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HE2' ' OD1' ' A' ' 46' ' ' ASP . 65.2 pttt -64.96 -40.89 95.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 119.623 -1.923 . . . . 0.0 113.724 169.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.93 -37.34 81.98 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.488 1.915 . . . . 0.0 109.228 -162.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.441 -0.889 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -157.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 CA--C 1.501 -0.935 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -34.57 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 CA-C-O 116.07 -1.919 . . . . 0.0 114.325 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.847 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 38.5 tp10 -58.31 -45.36 88.16 Favored 'General case' 1 C--O 1.132 -5.117 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 97.2 mt -60.79 -49.12 78.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.78 -37.56 87.16 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 117.779 -1.105 . . . . 0.0 111.109 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.48 -36.27 73.76 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 116.206 -1.854 . . . . 0.0 111.214 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 96.7 mt -49.49 -56.58 9.3 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.02 -52.5 59.2 Favored 'General case' 0 N--CA 1.437 -1.087 0 O-C-N 120.937 -1.102 . . . . 0.0 112.665 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.84 -36.53 56.76 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.329 -0.948 . . . . 0.0 113.221 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.769 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 83.8 mt-10 -64.41 -40.37 95.65 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 4.9 t80 -61.1 -51.21 70.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.409 1.099 . . . . 0.0 112.898 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.2 p -63.88 -42.53 97.47 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 121.156 -0.965 . . . . 0.0 108.765 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -74.16 -49.35 24.05 Favored 'General case' 0 C--O 1.273 2.292 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -172.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -154.75 160.35 41.26 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 122.001 0.905 . . . . 0.0 113.246 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 81' ' ' ILE . 64.4 pttt -106.57 117.26 33.58 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.813 HH22 ' HA ' ' A' ' 4' ' ' LYS . 10.1 ptm180 -160.93 -175.13 4.75 Favored 'General case' 0 CA--C 1.477 -1.831 0 O-C-N 120.451 -1.405 . . . . 0.0 109.672 -144.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 86.2 p -149.77 164.39 35.42 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 80' ' ' HIS . 1.4 pp -134.69 164.36 34.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 72.6 m-85 -114.83 124.48 51.85 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.757 -1.11 . . . . 0.0 113.87 157.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -102.1 115.27 30.19 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -172.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 3.6 t80 -93.06 103.28 15.59 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 124.394 1.078 . . . . 0.0 108.849 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.684 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -134.84 143.92 48.33 Favored Pre-proline 0 CA--C 1.465 -2.299 0 O-C-N 119.364 -2.085 . . . . 0.0 109.084 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -62.92 152.43 79.13 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 115.678 -2.414 . . . . 0.0 116.941 -129.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 m -68.69 -40.68 79.94 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 161.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.9 -43.72 78.62 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 115.506 -2.188 . . . . 0.0 115.41 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.52 -26.46 11.4 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 122.278 2.308 . . . . 0.0 116.013 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.87 20.73 12.39 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.578 2.351 . . . . 0.0 111.009 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -93.3 -53.17 4.2 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.695 -1.878 . . . . 0.0 112.583 -163.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 64.2 m-20 -64.2 -35.62 81.41 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.407 ' N ' ' HB1' ' A' ' 39' ' ' ALA . 65.0 ttp -61.96 -46.91 87.2 Favored 'General case' 0 CA--C 1.56 1.352 0 O-C-N 124.449 1.093 . . . . 0.0 113.731 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.38 -37.36 86.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.238 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.29 -35.67 81.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.647 -1.221 . . . . 0.0 112.069 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.17 72.77 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.65 -49.13 46.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 124.292 0.995 . . . . 0.0 111.583 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 98.1 m-20 -75.63 -40.05 56.83 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 116.767 -1.587 . . . . 0.0 109.36 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -63.78 -37.88 89.03 Favored 'General case' 0 CA--C 1.476 -1.89 0 C-N-CA 118.036 -1.466 . . . . 0.0 110.845 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.847 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 19.0 m-30 -61.7 -43.46 98.81 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 125.83 1.956 . . . . 0.0 109.991 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.81 -42.65 85.55 Favored 'General case' 0 CA--C 1.48 -1.749 0 C-N-CA 124.131 0.972 . . . . 0.0 112.573 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 95.3 mt-10 -59.71 -29.11 67.89 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-O 125.664 2.65 . . . . 0.0 111.523 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.615 ' HZ3' ' HB3' ' A' ' 21' ' ' LEU . 97.0 mttt -104.99 146.1 29.51 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 117.038 -3.539 . . . . 0.0 112.877 171.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.5 -11.21 85.08 Favored Glycine 1 C--O 1.167 -4.076 0 N-CA-C 120.92 3.128 . . . . 0.0 120.92 -173.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -65.87 -44.22 86.02 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.0 t -67.3 148.46 51.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.12 -45.73 8.51 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 165.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HD2' HD12 ' A' ' 79' ' ' LEU . 78.8 t80 -144.25 120.85 11.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -153.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 63.2 tp -119.19 136.43 54.2 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 172.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.39 171.76 17.54 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.64 162.83 28.98 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.337 -2.102 . . . . 0.0 110.264 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 75' ' ' PHE . 18.7 m -80.39 163.87 3.28 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-O 124.045 1.879 . . . . 0.0 108.907 147.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -72.84 -31.32 64.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 129.205 3.002 . . . . 0.0 116.417 167.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.0 m -62.85 -9.29 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.367 -1.458 . . . . 0.0 111.234 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 66.3 m -59.78 -43.08 94.57 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 116.553 -1.689 . . . . 0.0 111.468 171.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -62.15 -38.31 88.52 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 123.068 2.667 . . . . 0.0 109.271 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.53 -42.47 78.41 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -125.21 -26.15 3.7 Favored 'General case' 0 CA--C 1.431 -3.627 0 C-N-CA 117.799 -1.56 . . . . 0.0 112.23 -169.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 45.06 56.4 5.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 O-C-N 119.732 -1.855 . . . . 0.0 115.841 -158.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -92.51 -44.35 8.69 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 148.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 38' ' ' PHE . 28.6 m-85 -110.75 133.3 53.46 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 121.236 1.834 . . . . 0.0 112.814 -150.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 63' ' ' LEU . 96.1 mt -100.46 138.57 37.35 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 120.546 -1.346 . . . . 0.0 112.2 160.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 6.4 t80 -93.74 106.26 18.24 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 176.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' A' ' 63' ' ' LEU . 17.5 tt0 -125.75 127.34 46.02 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.687 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' A' ' 62' ' ' TYR . 5.3 mp -119.42 128.33 53.94 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 119.841 -1.787 . . . . 0.0 108.617 -162.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 35' ' ' ILE . 63.2 m170 -110.25 124.07 50.94 Favored 'General case' 0 CA--C 1.456 -2.648 0 CA-C-O 114.502 -2.666 . . . . 0.0 108.034 -162.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 32' ' ' LYS . 91.6 mt 59.95 -60.68 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.607 -2.14 . . . . 0.0 107.868 -160.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 34' ' ' SER . 18.5 pt . . . . . 1 C--O 1.337 5.673 1 CA-C-O 108.909 -5.329 . . . . 0.0 104.417 -162.749 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.53 ' HG2' HH21 ' A' ' 33' ' ' ARG . 95.8 mttt . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 119.39 3.107 . . . . 0.0 119.39 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 pp -120.46 159.62 24.78 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 112.377 -3.678 . . . . 0.0 111.455 -172.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 20' ' ' GLU . 97.0 t -108.91 142.54 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 128.694 3.746 . . . . 0.0 110.334 159.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 7' ' ' LEU . 95.3 mt -112.83 139.07 48.77 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.563 -1.336 . . . . 0.0 113.478 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.531 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . . . -66.84 145.38 55.55 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 121.424 -0.797 . . . . 0.0 112.701 167.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -82.93 -30.63 28.24 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.03 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.404 ' ND2' ' HD3' ' A' ' 45' ' ' LYS . 99.0 m-20 -64.91 -43.96 91.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.419 1.009 . . . . 0.0 110.255 -159.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 175.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.54 -39.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 125.556 1.542 . . . . 0.0 113.74 -155.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HB3' HG22 ' A' ' 6' ' ' VAL . 26.6 pt-20 -57.77 -41.5 82.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 119.283 0.947 . . . . 0.0 112.598 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.504 ' CD2' ' HD2' ' A' ' 57' ' ' LYS . 95.3 mt -61.79 -47.15 86.43 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 119.413 -2.055 . . . . 0.0 110.675 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.04 -43.47 98.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 116.555 -1.688 . . . . 0.0 112.648 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -66.87 -36.57 82.61 Favored 'General case' 0 CA--C 1.484 -1.579 0 O-C-N 124.577 1.173 . . . . 0.0 108.892 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 8.5 mp -64.28 -50.25 68.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 119.765 1.166 . . . . 0.0 107.976 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.04 -48.84 78.88 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.293 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -83.64 -37.78 22.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -168.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 94.7 mt-10 -61.61 -42.19 98.52 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 119.635 -1.916 . . . . 0.0 108.997 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.3 t80 -59.42 -47.62 84.76 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.232 0.957 . . . . 0.0 111.742 177.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -71.13 -33.31 69.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.01 -46.95 14.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 119.126 0.875 . . . . 0.0 108.762 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -147.68 166.36 27.69 Favored 'General case' 0 CA--C 1.558 1.271 0 O-C-N 121.86 -0.525 . . . . 0.0 111.733 -154.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.511 ' HG2' HD11 ' A' ' 81' ' ' ILE . 83.4 mttt -126.47 115.95 20.37 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 118.31 -2.744 . . . . 0.0 115.366 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.53 HH21 ' HG2' ' A' ' 4' ' ' LYS . 17.1 ptm180 -168.71 172.84 7.64 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.315 -137.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -135.17 172.01 13.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 120.006 1.276 . . . . 0.0 108.342 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 ' CG1' ' HB3' ' A' ' 78' ' ' GLU . 44.5 pt -142.16 165.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-O 122.998 1.38 . . . . 0.0 109.194 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' HB2' ' HE1' ' A' ' 38' ' ' PHE . 50.9 m-85 -112.58 148.08 35.3 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.436 -1.256 . . . . 0.0 107.817 162.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -119.36 123.81 45.06 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 177.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -106.02 89.75 3.16 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 127.4 2.28 . . . . 0.0 106.75 -177.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . . . -134.4 144.9 53.04 Favored Pre-proline 0 C--O 1.204 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 112.589 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 8' ' ' ALA . 59.8 Cg_exo -60.39 149.15 87.67 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 CA-C-O 115.889 -1.796 . . . . 0.0 115.495 -122.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -64.88 -47.12 78.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 116.828 -1.949 . . . . 0.0 111.507 155.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -70.07 -38.1 75.64 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 125.09 1.356 . . . . 0.0 111.559 -160.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.73 -38.76 10.2 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 53.32 36.03 21.78 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 128.821 2.849 . . . . 0.0 112.562 -165.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HD3' ' ND2' ' A' ' 10' ' ' ASN . 84.1 tttt -101.22 -57.3 2.12 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.313 -167.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.7 m-20 -67.18 -36.14 81.13 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.658 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.8 ttp -64.09 -41.68 97.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.618 0.644 . . . . 0.0 111.631 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -43.83 90.43 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.894 0.878 . . . . 0.0 110.428 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 64.8 mmtt -64.17 -35.3 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 172.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.84 89.45 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.339 1.025 . . . . 0.0 113.346 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.09 -46.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.999 0.904 . . . . 0.0 109.656 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.0 -43.0 89.02 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.76 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.31 -38.26 90.41 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' HD2' ' CD1' ' A' ' 63' ' ' LEU . 20.5 m-30 -64.83 -35.05 79.85 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 122.872 1.32 . . . . 0.0 111.559 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.42 -34.84 58.79 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 116.267 -1.825 . . . . 0.0 114.796 169.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.45 -32.01 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 121.253 1.842 . . . . 0.0 111.426 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 21' ' ' LEU . 97.4 mttt -125.06 140.84 52.54 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.84 -16.3 70.61 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 118.481 2.153 . . . . 0.0 118.481 -155.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 96.3 m-70 -77.28 -29.13 53.66 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 117.167 -3.549 . . . . 0.0 117.147 -157.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -64.1 145.63 55.59 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 120.749 -1.219 . . . . 0.0 109.083 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.536 ' CB ' ' CG2' ' A' ' 82' ' ' ILE . . . -73.44 -38.14 65.61 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 121.273 -0.892 . . . . 0.0 110.014 167.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -163.14 164.68 25.19 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.855 1.347 . . . . 0.0 113.33 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.642 ' CD1' ' HD2' ' A' ' 54' ' ' PHE . 2.5 pt? -134.87 148.06 50.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.106 -0.996 . . . . 0.0 112.134 163.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -161.17 161.11 30.88 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.85 158.81 12.31 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.158 -0.964 . . . . 0.0 113.237 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.785 HG13 HG23 ' A' ' 68' ' ' VAL . 98.2 t -81.29 134.8 26.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 C-N-CA 116.097 -2.241 . . . . 0.0 109.809 151.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HA ' ' H ' ' A' ' 69' ' ' SER . 93.2 mtt-85 -84.47 66.19 9.33 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 118.703 -2.498 . . . . 0.0 114.284 158.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.785 HG23 HG13 ' A' ' 66' ' ' VAL . 28.6 m -97.61 9.48 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 128.825 2.85 . . . . 0.0 111.522 119.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.427 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 79.7 p -63.99 -43.24 96.31 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.0 p -57.54 -38.62 75.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -169.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -82.43 -41.7 19.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 127.7 3.125 . . . . 0.0 116.521 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -123.25 -27.23 4.17 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 119.471 1.032 . . . . 0.0 112.953 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.9 mttt 44.66 51.57 8.11 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -102.51 -36.41 8.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.447 -1.408 . . . . 0.0 112.068 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 27.0 m-85 -122.41 120.85 35.17 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 -140.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.5 mt -95.31 152.81 18.05 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.07 110.83 21.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.823 1.649 . . . . 0.0 109.421 167.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 35' ' ' ILE . 83.6 tt0 -111.36 133.87 53.36 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.665 -0.647 . . . . 0.0 109.38 -175.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 2.2 mp -116.38 124.31 49.75 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 120.145 -1.597 . . . . 0.0 108.757 -174.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -107.23 121.88 45.43 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -168.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 32' ' ' LYS . 84.7 mt 45.8 53.24 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 O-C-N 125.097 1.498 . . . . 0.0 112.116 -163.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.536 ' CG2' ' CB ' ' A' ' 61' ' ' ALA . 20.9 tt . . . . . 0 C--O 1.208 -1.113 1 O-C-N 115.72 -4.363 . . . . 0.0 116.559 164.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.24 0.562 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -127.39 151.68 48.49 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 20' ' ' GLU . 85.6 t -124.57 130.42 73.49 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 159.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 5.5 mp -96.83 151.33 19.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.973 0.909 . . . . 0.0 112.01 170.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -67.91 142.04 56.17 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 130.668 3.587 . . . . 0.0 114.559 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.16 -41.42 98.29 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.996 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -67.65 -45.49 75.15 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 116.199 -1.858 . . . . 0.0 114.973 -170.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 40' ' ' PRO . 39.9 p . . . . . 0 C--N 1.288 -2.088 0 CA-C-N 120.716 1.598 . . . . 0.0 112.828 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.06 -37.98 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -155.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 34.9 tp10 -62.42 -45.85 91.22 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.319 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.583 HD23 ' HZ2' ' A' ' 57' ' ' LYS . 77.0 mt -61.36 -53.78 52.25 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-O 114.09 -2.862 . . . . 0.0 108.304 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.36 -43.75 98.35 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 122.567 2.44 . . . . 0.0 112.144 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.534 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 55.2 t0 -64.92 -38.45 91.02 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 128.604 3.69 . . . . 0.0 107.844 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 14.2 mt -49.6 -61.51 2.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 123.869 1.795 . . . . 0.0 111.83 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 59' ' ' HIS . 73.1 t80 -66.02 -43.76 86.73 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.963 -1.085 . . . . 0.0 110.126 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -73.3 -42.47 62.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 119.594 -1.941 . . . . 0.0 114.323 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 34.2 tt0 -61.66 -44.55 96.75 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 115.073 -2.394 . . . . 0.0 105.777 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HD1' ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.77 -35.12 72.46 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 115.973 -2.291 . . . . 0.0 113.724 -177.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.4 p -65.44 -46.74 78.69 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-O 115.944 -1.979 . . . . 0.0 110.941 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -81.56 -41.15 22.01 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 125.694 1.871 . . . . 0.0 113.298 -165.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -159.74 149.07 18.01 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-O 125.039 2.352 . . . . 0.0 114.905 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HE2' HG23 ' A' ' 81' ' ' ILE . 96.9 mttt -102.48 116.22 32.17 Favored 'General case' 0 C--O 1.302 3.86 1 O-C-N 115.207 -4.683 . . . . 0.0 112.254 -170.105 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -175.82 166.52 3.09 Favored 'General case' 0 C--N 1.25 -3.744 0 CA-C-N 123.356 2.798 . . . . 0.0 108.336 -134.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.627 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 91.6 p -144.19 155.57 43.95 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 125.091 1.357 . . . . 0.0 110.107 -168.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.513 HD12 ' HE2' ' A' ' 80' ' ' HIS . 47.9 pt -131.31 149.15 32.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.593 1.187 . . . . 0.0 109.726 -169.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 92.2 m-85 -93.9 152.67 18.7 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-O 123.204 1.478 . . . . 0.0 108.41 148.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.474 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 16.6 t80 -123.4 112.4 17.51 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.85 1.26 . . . . 0.0 107.829 173.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 43.4 t80 -93.54 94.09 8.45 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 125.623 1.569 . . . . 0.0 111.847 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.682 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -135.25 143.2 44.63 Favored Pre-proline 0 C--O 1.206 -1.207 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.484 ' HB3' HG23 ' A' ' 11' ' ' THR . 73.3 Cg_endo -64.96 152.17 83.27 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 115.662 -2.426 . . . . 0.0 115.314 -124.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.0 m -69.1 -37.65 78.52 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 125.245 1.418 . . . . 0.0 111.488 158.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.98 -47.58 65.25 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 120.262 -1.524 . . . . 0.0 112.692 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.88 8.33 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.25 -166.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 91.0 m-70 58.25 32.53 22.16 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 123.158 1.456 . . . . 0.0 111.517 -168.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.45 -54.86 2.83 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 124.409 1.083 . . . . 0.0 113.886 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 96.5 m-20 -61.19 -35.11 76.26 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 125.622 1.826 . . . . 0.0 107.077 172.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.2 ttm -66.21 -43.01 87.95 Favored 'General case' 0 N--CA 1.444 -0.768 1 O-C-N 116.064 -4.148 . . . . 0.0 114.651 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.14 -44.07 83.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.865 0.841 . . . . 0.0 110.382 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.36 -37.98 88.67 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.13 1.772 . . . . 0.0 112.437 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.83 77.05 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.77 -42.92 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 123.354 1.55 . . . . 0.0 109.575 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.07 -44.28 72.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 116.755 -1.593 . . . . 0.0 114.041 172.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.42 -45.72 93.14 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 120.585 1.539 . . . . 0.0 110.045 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 22.5 m-30 -63.07 -47.26 83.68 Favored 'General case' 0 CA--C 1.468 -2.187 0 CA-C-O 113.804 -2.998 . . . . 0.0 104.079 -165.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.66 -39.5 94.09 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 121.518 1.963 . . . . 0.0 111.094 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -53.16 -45.43 68.45 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 117.902 -2.999 . . . . 0.0 113.453 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 98.1 mttt -93.42 144.09 25.66 Favored 'General case' 0 CA--C 1.463 -2.393 1 CA-C-O 111.401 -4.143 . . . . 0.0 116.261 176.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -6.67 59.02 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 127.928 2.68 . . . . 0.0 118.852 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CE1' ' HD3' ' A' ' 57' ' ' LYS . 63.5 m170 -68.75 -30.85 69.55 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 112.413 -3.66 . . . . 0.0 106.868 -152.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -101.13 146.61 27.25 Favored 'General case' 0 C--N 1.265 -3.081 1 CA-C-N 130.115 5.871 . . . . 0.0 112.783 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.43 ' H ' ' HA ' ' A' ' 80' ' ' HIS . . . -65.3 -49.63 68.78 Favored 'General case' 0 CA--C 1.499 -1.01 0 O-C-N 118.121 -2.862 . . . . 0.0 118.135 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -145.22 153.53 41.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.853 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.609 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -127.02 135.01 50.23 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 160.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -159.6 145.6 16.04 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.86 158.81 7.69 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 116.725 -3.734 . . . . 0.0 116.813 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 69' ' ' SER . 57.5 t -74.52 141.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-O 115.279 -2.296 . . . . 0.0 106.862 155.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.627 ' HD3' ' OG ' ' A' ' 69' ' ' SER . 40.4 mmt180 -90.63 61.51 4.87 Favored 'General case' 0 C--O 1.189 -2.101 1 CA-C-N 127.245 4.566 . . . . 0.0 118.305 151.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.87 7.44 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 127.525 2.33 . . . . 0.0 109.364 128.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.627 ' OG ' ' HD3' ' A' ' 67' ' ' ARG . 94.0 p -63.25 -43.23 98.59 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 127.146 2.178 . . . . 0.0 112.453 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.1 p -62.73 -34.44 77.18 Favored 'General case' 0 C--O 1.202 -1.408 0 CA-C-O 115.807 -2.044 . . . . 0.0 109.439 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -84.29 -51.11 7.25 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 116.432 -1.747 . . . . 0.0 114.815 167.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -120.54 -26.66 5.3 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 124.382 3.264 . . . . 0.0 107.256 -158.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HG2' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tptp 52.88 45.12 29.41 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 130.405 3.482 . . . . 0.0 113.271 172.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.21 -41.38 6.4 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.507 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 67.9 m-85 -108.68 117.32 33.87 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 127.906 2.482 . . . . 0.0 110.119 -152.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 94.0 mt -83.42 141.55 31.63 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.165 156.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -104.3 114.32 28.48 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 123.248 1.499 . . . . 0.0 108.659 162.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 35' ' ' ILE . 85.1 tt0 -125.13 127.95 47.65 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -174.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 3.6 mp -116.36 129.0 56.02 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 117.289 -3.382 . . . . 0.0 108.017 -161.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' HE2' HD12 ' A' ' 35' ' ' ILE . 10.9 m170 -112.19 115.83 29.47 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.736 ' O ' HG21 ' A' ' 81' ' ' ILE . 63.2 mt 51.62 41.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.358 -174.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.627 ' CD1' ' HB3' ' A' ' 34' ' ' SER . 94.7 mt . . . . . 1 C--O 1.357 6.732 3 CA-C-O 109.571 -5.014 . . . . 0.0 110.194 -178.716 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.462 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.4 mttt . . . . . 0 CA--C 1.565 1.52 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.656 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 94.0 mt -115.55 145.48 42.61 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 20' ' ' GLU . 91.4 t -123.52 121.62 63.05 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.296 1 O-C-N 129.514 4.259 . . . . 0.0 116.05 169.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 38' ' ' PHE . 94.7 mt -101.39 146.5 27.52 Favored 'General case' 0 C--O 1.183 -2.401 0 CA-C-O 125.236 2.446 . . . . 0.0 110.673 -166.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . . . -58.47 135.69 57.33 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.259 -2.775 . . . . 0.0 116.282 163.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.97 -42.18 97.32 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-O 116.936 -1.507 . . . . 0.0 112.023 163.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.34 -49.1 75.27 Favored 'General case' 0 C--O 1.208 -1.128 0 O-C-N 124.968 1.418 . . . . 0.0 113.452 -151.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--N 1.306 -1.288 0 N-CA-C 118.185 2.661 . . . . 0.0 118.185 168.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.9 p . . . . . 0 N--CA 1.504 2.265 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG11 ' OD2' ' A' ' 23' ' ' ASP . 96.3 t -64.34 -35.57 74.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 C-N-CA 126.687 1.995 . . . . 0.0 114.145 -158.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.681 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . 34.1 tp10 -60.14 -43.7 95.52 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 120.78 -1.2 . . . . 0.0 109.341 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.662 HD23 ' HD2' ' A' ' 57' ' ' LYS . 97.2 mt -62.92 -47.29 83.9 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.32 -36.97 85.69 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 119.144 -2.222 . . . . 0.0 110.976 174.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.519 ' OD2' HG11 ' A' ' 19' ' ' VAL . 94.6 m-20 -64.96 -40.56 95.17 Favored 'General case' 0 CA--C 1.473 -2.015 0 O-C-N 126.315 2.259 . . . . 0.0 110.934 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 68.0 mt -49.35 -58.42 5.13 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 123.861 1.791 . . . . 0.0 108.651 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 76.4 t80 -65.58 -49.35 69.14 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -173.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.418 ' HD2' ' HD2' ' A' ' 25' ' ' TYR . 64.2 m170 -69.65 -42.67 73.93 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.592 -169.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.794 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 97.1 mt-10 -65.77 -43.39 88.98 Favored 'General case' 0 C--O 1.2 -1.515 0 O-C-N 126.265 2.228 . . . . 0.0 110.452 -175.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.4 t80 -56.63 -52.56 64.42 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 124.888 1.367 . . . . 0.0 107.696 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.8 p -61.83 -46.59 88.81 Favored 'General case' 0 CA--C 1.49 -1.337 0 O-C-N 125.483 1.739 . . . . 0.0 112.298 -170.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.73 -46.39 37.76 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 128.218 3.449 . . . . 0.0 108.0 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.668 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 20.6 t0 -151.22 159.81 44.18 Favored 'General case' 0 N--CA 1.423 -1.813 0 O-C-N 121.027 -1.045 . . . . 0.0 113.776 -165.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.71 110.61 21.7 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 117.656 -3.153 . . . . 0.0 112.946 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.794 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 13.6 ptm180 -167.8 159.36 11.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 120.754 1.616 . . . . 0.0 109.756 -136.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.559 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 74.7 p -131.1 154.17 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 -163.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.454 HG12 ' HE1' ' A' ' 80' ' ' HIS . 45.7 pt -134.92 162.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 123.97 0.908 . . . . 0.0 108.551 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.656 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 90.2 m-85 -114.04 123.31 49.38 Favored 'General case' 0 C--O 1.194 -1.825 0 C-N-CA 128.537 2.735 . . . . 0.0 103.853 166.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.681 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t80 -85.12 115.83 23.14 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 131.243 3.817 . . . . 0.0 114.003 164.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.4 t80 -104.59 88.86 3.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 116.487 -3.883 . . . . 0.0 111.408 -175.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -139.91 151.58 65.8 Favored Pre-proline 0 CA--C 1.498 -1.045 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 -166.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 71.9 Cg_exo -62.74 149.82 90.04 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 113.509 -3.86 . . . . 0.0 115.936 -130.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.5 m -63.95 -43.89 94.45 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 126.297 2.248 . . . . 0.0 115.972 154.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -65.04 -42.97 93.83 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.58 -40.0 7.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.424 -1.423 . . . . 0.0 111.106 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.665 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 97.2 m-70 60.15 23.53 12.83 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 130.222 3.409 . . . . 0.0 114.593 -158.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -91.89 -44.77 8.73 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 115.498 -2.481 . . . . 0.0 106.111 -158.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 67.6 m-20 -62.59 -41.24 98.84 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 125.215 1.572 . . . . 0.0 107.461 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.99 -43.73 98.43 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.16 -37.1 83.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.16 -33.58 75.72 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 118.575 -2.578 . . . . 0.0 117.837 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.95 -40.9 73.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 123.053 1.406 . . . . 0.0 114.754 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.34 -45.81 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 CA-C-O 123.293 1.521 . . . . 0.0 108.804 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.28 -40.97 97.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -58.62 -43.54 89.69 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 120.445 -1.409 . . . . 0.0 112.155 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' HE1' ' CG ' ' A' ' 20' ' ' GLU . 19.1 m-85 -63.49 -43.37 97.46 Favored 'General case' 1 C--O 1.144 -4.449 0 CA-C-O 116.372 -1.775 . . . . 0.0 110.789 -177.223 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.67 -39.51 94.51 Favored 'General case' 0 CA--C 1.476 -1.876 0 CA-C-N 120.156 1.344 . . . . 0.0 111.0 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.01 -50.19 71.55 Favored 'General case' 0 CA--C 1.459 -2.541 0 CA-C-O 113.724 -3.036 . . . . 0.0 111.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HD2' HD23 ' A' ' 21' ' ' LEU . 97.8 mttt -107.69 134.82 50.12 Favored 'General case' 0 C--O 1.183 -2.443 0 O-C-N 127.554 3.034 . . . . 0.0 117.39 -170.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.82 -10.67 77.27 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-O 114.498 -3.39 . . . . 0.0 120.175 -168.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.658 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.4 -42.9 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 123.956 3.878 . . . . 0.0 120.542 -168.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.64 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.7 t -67.69 155.88 38.2 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 118.08 -2.888 . . . . 0.0 108.101 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -97.26 -38.64 9.6 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.966 168.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.641 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 88.6 t80 -141.68 138.02 32.16 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 tp -123.18 130.38 52.68 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 119.901 -1.75 . . . . 0.0 107.015 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.641 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 16.7 t0 -139.1 165.22 27.72 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.624 1.969 . . . . 0.0 112.793 166.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 97.6 mt-10 -74.27 172.64 11.46 Favored 'General case' 0 C--N 1.329 -0.307 1 O-C-N 115.376 -4.578 . . . . 0.0 113.668 167.217 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG13 HG22 ' A' ' 68' ' ' VAL . 58.4 t -98.68 129.05 49.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 116.544 -2.062 . . . . 0.0 109.62 152.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.717 ' HA ' ' H ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -86.19 71.91 10.46 Favored 'General case' 1 C--O 1.103 -6.637 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.768 155.542 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.693 HG22 HG13 ' A' ' 66' ' ' VAL . 32.6 m -99.83 23.75 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.398 1 C-N-CA 133.044 4.538 . . . . 0.0 104.967 114.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.717 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 74.4 p -63.37 -37.54 87.68 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.102 -0.998 . . . . 0.0 109.547 173.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.0 m -60.84 -44.15 97.36 Favored 'General case' 0 N--CA 1.423 -1.779 0 C-N-CA 115.446 -2.502 . . . . 0.0 113.366 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -72.58 -47.28 49.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 119.875 3.287 . . . . 0.0 119.875 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -128.96 -33.62 1.98 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -160.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.665 ' HE2' ' CE1' ' A' ' 44' ' ' HIS . 88.6 tttt 50.34 55.08 10.02 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 128.659 2.784 . . . . 0.0 110.674 151.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 29.4 p-10 -139.95 -0.12 1.71 Allowed 'General case' 0 C--N 1.268 -2.967 0 O-C-N 116.743 -3.723 . . . . 0.0 115.716 163.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.624 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 72.3 m-85 -101.16 127.22 47.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.526 1.966 . . . . 0.0 109.792 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 83.0 mt -96.58 131.18 43.47 Favored 'General case' 0 C--O 1.208 -1.096 0 C-N-CA 128.194 2.597 . . . . 0.0 112.942 158.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -108.98 112.07 24.07 Favored 'General case' 0 N--CA 1.426 -1.643 0 O-C-N 119.679 -1.888 . . . . 0.0 107.44 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.407 ' OE1' ' CE1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -132.06 127.14 35.51 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -168.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.559 ' HG ' ' HB2' ' A' ' 34' ' ' SER . 4.8 mp -116.58 128.18 55.17 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -159.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 36.2 m80 -97.12 128.34 43.94 Favored 'General case' 0 CA--C 1.48 -1.749 0 CA-C-O 116.791 -1.576 . . . . 0.0 107.792 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.557 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 17.1 tt 29.01 66.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 128.207 3.442 . . . . 0.0 116.003 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' H ' ' HB2' ' A' ' 61' ' ' ALA . 20.0 tt . . . . . 0 N--CA 1.509 2.524 0 C-N-CA 129.016 2.926 . . . . 0.0 116.42 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 5.8 mp -127.59 154.02 45.71 Favored 'General case' 0 C--O 1.207 -1.168 0 O-C-N 120.232 -1.542 . . . . 0.0 108.508 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' A' ' 20' ' ' GLU . 96.2 t -122.82 125.72 72.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 124.606 1.191 . . . . 0.0 110.702 169.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 38' ' ' PHE . 90.0 mt -88.94 139.77 30.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 123.291 1.52 . . . . 0.0 111.541 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . . . -59.01 144.45 45.17 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.748 1.219 . . . . 0.0 109.295 166.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -61.92 -45.97 91.39 Favored 'General case' 0 C--O 1.199 -1.597 0 CA-C-O 117.077 -1.44 . . . . 0.0 111.851 160.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.58 -47.16 79.75 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 123.757 2.98 . . . . 0.0 115.136 -148.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 127.912 2.485 . . . . 0.0 115.828 174.493 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.15 -36.94 70.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.939 2.096 . . . . 0.0 113.647 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 25.1 pt-20 -58.38 -49.21 78.08 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 115.048 -2.406 . . . . 0.0 108.387 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.489 HD13 ' HZ2' ' A' ' 57' ' ' LYS . 77.8 mt -64.75 -45.26 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 123.632 2.923 . . . . 0.0 109.284 -161.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.08 -40.27 88.95 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 130.284 3.434 . . . . 0.0 114.417 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -65.78 -40.23 91.76 Favored 'General case' 0 CA--C 1.482 -1.637 0 O-C-N 124.999 1.437 . . . . 0.0 110.22 173.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 47.7 mt -59.11 -50.46 73.96 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -64.48 -51.19 64.3 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -69.1 -42.58 75.93 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 124.567 1.167 . . . . 0.0 111.283 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.5 -44.1 83.5 Favored 'General case' 0 CA--C 1.48 -1.744 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.6 t80 -57.94 -49.72 75.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -66.27 -40.45 90.11 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.723 1.209 . . . . 0.0 113.068 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -78.49 -44.52 24.28 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.995 1.318 . . . . 0.0 111.341 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.2 167.38 27.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.533 1.933 . . . . 0.0 113.696 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -122.62 126.51 47.81 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 117.981 -2.949 . . . . 0.0 114.312 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.797 ' HG2' ' H ' ' A' ' 34' ' ' SER . 28.5 ttm180 -172.26 -179.78 2.38 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 128.663 2.785 . . . . 0.0 112.827 -131.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.797 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 82.5 p -152.66 165.17 36.08 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 117.52 -3.237 . . . . 0.0 107.368 -176.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 pt -147.96 158.1 8.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 123.642 1.687 . . . . 0.0 109.385 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 81.9 m-85 -101.36 139.17 37.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.649 -2.069 . . . . 0.0 110.59 158.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 22.4 t80 -107.48 101.16 10.52 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 168.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HB3' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -94.07 92.82 7.5 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 130.844 3.658 . . . . 0.0 105.44 -166.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . . . -141.83 149.56 53.54 Favored Pre-proline 0 C--O 1.19 -2.055 0 CA-C-N 114.497 -1.229 . . . . 0.0 107.95 -160.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.7 Cg_endo -66.37 148.63 84.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-N 120.003 1.037 . . . . 0.0 114.128 -129.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -69.87 -37.2 76.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.8 1.762 . . . . 0.0 109.561 161.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.62 -39.55 80.75 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 127.465 2.306 . . . . 0.0 113.934 -158.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.264 . . -132.16 -16.62 2.79 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -174.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 47.38 39.74 9.57 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 124.891 1.276 . . . . 0.0 108.963 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -97.12 -48.09 5.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.444 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.61 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 92.7 m-20 -63.41 -36.86 85.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.677 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 66.4 ttp -64.44 -42.13 96.16 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 119.284 0.947 . . . . 0.0 112.794 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.07 -42.08 98.83 Favored 'General case' 0 C--N 1.345 0.391 0 O-C-N 121.646 -0.659 . . . . 0.0 110.651 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 98.2 mttt -66.14 -33.4 75.69 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.176 -1.392 . . . . 0.0 111.458 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.68 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 124.137 0.898 . . . . 0.0 112.323 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.26 -45.49 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.826 -1.15 . . . . 0.0 108.712 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.37 -44.47 94.71 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.446 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 21.2 m-30 -64.96 -35.71 82.05 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-O 122.025 0.917 . . . . 0.0 113.339 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -68.19 -35.27 77.74 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.867 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -35.64 75.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 127.927 2.491 . . . . 0.0 113.556 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.76 -39.35 77.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 116.546 -1.693 . . . . 0.0 110.962 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HZ2' HD13 ' A' ' 21' ' ' LEU . 97.6 mttt -112.86 139.77 48.22 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.37 37.42 3.14 Favored Glycine 0 CA--C 1.563 3.089 0 N-CA-C 122.726 3.85 . . . . 0.0 122.726 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.0 m-70 -93.15 -35.11 13.34 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 124.001 3.9 . . . . 0.0 113.218 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t -66.09 150.19 49.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.77 12.57 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.378 -1.283 . . . . 0.0 107.833 167.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -157.76 154.24 27.85 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -169.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 76' ' ' LEU . 64.7 tp -129.61 137.03 50.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.895 1.278 . . . . 0.0 112.053 172.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.532 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.9 t0 -149.75 -179.98 7.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 165.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -82.48 169.98 15.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 119.29 -2.131 . . . . 0.0 112.348 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.568 ' CG2' ' H ' ' A' ' 69' ' ' SER . 27.8 m -77.4 166.96 2.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 125.603 3.819 . . . . 0.0 110.847 142.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -71.39 -34.34 70.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.524 3.53 . . . . 0.0 115.87 167.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.0 -3.1 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 118.839 -2.413 . . . . 0.0 110.799 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.568 ' H ' ' CG2' ' A' ' 66' ' ' VAL . 69.9 m -76.31 47.96 0.5 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 120.273 -1.517 . . . . 0.0 113.483 140.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.5 p -99.29 -56.48 2.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 132.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -71.33 -38.43 71.67 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 128.07 2.548 . . . . 0.0 112.013 -157.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.13 -22.74 2.81 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.68 1.192 . . . . 0.0 113.16 -168.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.13 50.27 13.91 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 113.986 -2.912 . . . . 0.0 113.707 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -117.48 -39.54 3.16 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.562 ' HB2' HG21 ' A' ' 66' ' ' VAL . 96.8 m-85 -106.72 122.09 45.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 124.117 0.886 . . . . 0.0 112.464 -171.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 93.0 mt -87.61 146.0 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.548 -0.72 . . . . 0.0 111.371 157.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -108.08 112.68 25.35 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.186 0.594 . . . . 0.0 110.753 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -127.15 129.86 48.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.274 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 1.5 mp -120.54 137.67 54.26 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -164.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -110.17 120.02 41.1 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 116.543 -1.694 . . . . 0.0 107.568 -167.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt 57.89 -32.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 -164.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.497 1.905 0 CA-C-N 123.167 2.712 . . . . 0.0 113.312 -166.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 pp -130.69 166.07 21.51 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.327 172.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.559 HG11 ' HB3' ' A' ' 20' ' ' GLU . 79.5 t -121.43 145.02 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.622 161.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 38' ' ' PHE . 90.9 mt -118.28 140.78 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -63.29 159.09 18.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.867 2.067 . . . . 0.0 112.522 166.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.46 -14.1 24.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 118.304 -2.748 . . . . 0.0 118.008 174.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.513 HD21 ' HG3' ' A' ' 40' ' ' PRO . 97.9 m-20 -67.24 -39.1 86.14 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 126.033 1.733 . . . . 0.0 107.891 -169.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.322 -0.587 0 O-C-N 125.155 1.534 . . . . 0.0 114.21 -163.28 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.242 0.687 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 m -98.49 -22.05 4.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 CA-C-O 115.781 -2.057 . . . . 0.0 108.62 169.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HB3' HG11 ' A' ' 6' ' ' VAL . 24.8 pt-20 -63.11 -36.42 83.54 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 115.11 -2.636 . . . . 0.0 108.172 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.692 ' CD2' ' HE3' ' A' ' 57' ' ' LYS . 98.8 mt -63.86 -50.23 69.64 Favored 'General case' 0 N--CA 1.438 -1.037 1 O-C-N 115.179 -4.701 . . . . 0.0 113.981 -178.57 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.26 -38.9 91.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.745 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.66 -36.67 78.87 Favored 'General case' 0 CA--C 1.482 -1.646 0 C-N-CA 119.949 -0.701 . . . . 0.0 109.362 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.563 ' HG ' ' HE2' ' A' ' 80' ' ' HIS . 11.2 mp -58.63 -59.19 5.79 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.958 -1.973 . . . . 0.0 106.886 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -59.67 -41.62 91.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 116.944 -1.903 . . . . 0.0 107.769 -163.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.46 -35.13 11.82 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.273 -1.785 . . . . 0.0 114.136 -162.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE1' ' CD1' ' A' ' 35' ' ' ILE . 94.2 mt-10 -60.47 -38.01 82.85 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.46 -49.8 76.01 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 127.908 2.483 . . . . 0.0 113.793 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -73.66 -33.52 64.52 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 116.293 -1.813 . . . . 0.0 115.831 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -82.98 -39.97 20.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 126.765 2.541 . . . . 0.0 114.253 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.03 166.24 33.89 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HD3' HG23 ' A' ' 81' ' ' ILE . 97.2 mttt -109.62 120.51 42.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 117.242 -1.783 . . . . 0.0 112.092 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HG2' ' N ' ' A' ' 34' ' ' SER . 33.2 ttm180 -152.09 173.14 15.28 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 121.984 2.175 . . . . 0.0 110.361 -146.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.573 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 50.1 m -125.34 167.47 14.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 119.693 -1.88 . . . . 0.0 109.783 157.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 35' ' ' ILE . 83.1 mt -131.4 153.47 38.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 C-N-CA 125.878 1.671 . . . . 0.0 111.602 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 5' ' ' LEU . 54.4 p90 -114.57 151.78 32.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 124.2 1.952 . . . . 0.0 113.767 148.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.551 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 86.4 m-85 -116.62 124.74 50.52 Favored 'General case' 0 C--O 1.203 -1.349 0 O-C-N 120.798 -1.189 . . . . 0.0 108.405 -171.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 7' ' ' LEU . 63.4 t80 -105.97 94.8 5.37 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.485 1.914 . . . . 0.0 113.56 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . . . -138.91 144.82 42.95 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.513 ' HG3' HD21 ' A' ' 10' ' ' ASN . 65.6 Cg_endo -69.96 153.45 68.02 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 -113.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 m -70.58 -39.84 73.62 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 170.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.67 -44.89 84.89 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -25.27 8.46 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.44 ' H ' ' HG2' ' A' ' 40' ' ' PRO . 95.3 m-70 54.7 40.88 32.17 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 120.339 -1.476 . . . . 0.0 110.359 -174.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -99.82 -56.37 2.4 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 117.26 2.319 . . . . 0.0 117.26 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 75.7 m-20 -60.67 -34.65 74.64 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 125.441 1.713 . . . . 0.0 107.882 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.544 ' HG3' HD12 ' A' ' 76' ' ' LEU . 66.3 ttp -67.28 -45.1 77.61 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 tp -57.15 -44.14 83.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.284 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.95 -33.06 71.61 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.11 0.964 . . . . 0.0 112.594 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.1 86.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.186 0.993 . . . . 0.0 113.095 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.0 t -55.94 -44.35 77.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.214 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.18 -41.84 94.2 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.491 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 20.0 m-30 -58.43 -39.87 80.99 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.249 0.968 . . . . 0.0 112.056 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.445 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 12.1 m-30 -73.51 -37.34 65.71 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -157.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.61 -42.54 67.54 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-N 111.667 -2.515 . . . . 0.0 110.665 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -41.21 90.75 Favored 'General case' 1 C--N 1.231 -4.565 0 CA-C-N 125.922 3.965 . . . . 0.0 110.701 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.692 ' HE3' ' CD2' ' A' ' 21' ' ' LEU . 72.3 mmtt -66.97 -61.46 1.93 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 119.409 3.114 . . . . 0.0 119.409 -165.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.18 12.57 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 128.742 3.068 . . . . 0.0 118.358 -160.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 36.7 m170 -120.97 7.21 10.35 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -110.45 -140.78 0.38 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 -146.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.12 -66.27 0.71 Allowed 'General case' 0 C--O 1.164 -3.41 1 N-CA-C 98.743 -4.54 . . . . 0.0 98.743 126.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -130.59 155.73 46.04 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 125.412 1.695 . . . . 0.0 110.702 -161.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 51.9 tp -126.36 128.38 46.98 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 167.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -116.03 170.41 8.51 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 126.275 1.83 . . . . 0.0 112.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 24.0 pt-20 -81.22 166.69 20.36 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.296 -1.503 . . . . 0.0 112.271 160.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 69' ' ' SER . 76.6 t -103.74 130.79 53.67 Favored 'Isoleucine or valine' 0 C--O 1.265 1.88 0 CA-C-O 113.975 -2.917 . . . . 0.0 116.579 153.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' CZ ' ' OE2' ' A' ' 65' ' ' GLU . 79.8 mtt85 -81.65 59.95 4.39 Favored 'General case' 0 C--O 1.192 -1.938 1 C-N-CA 132.003 4.121 . . . . 0.0 116.083 161.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 66' ' ' VAL . 35.3 m -107.66 26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 1 O-C-N 115.734 -4.354 . . . . 0.0 106.893 123.677 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.571 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 59.3 p -67.82 -35.24 78.25 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.823 2.449 . . . . 0.0 113.24 -176.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -61.74 -41.8 98.13 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.995 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -73.86 -45.84 48.6 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -113.96 -50.8 2.81 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.283 -2.76 . . . . 0.0 108.064 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 63.1 tttp 61.94 25.05 15.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 129.071 2.949 . . . . 0.0 112.084 -172.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -93.22 -16.7 24.52 Favored 'General case' 0 CA--C 1.49 -1.331 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 88.7 m-85 -109.67 118.07 35.58 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 122.168 0.985 . . . . 0.0 109.453 -162.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.544 HD12 ' HG3' ' A' ' 47' ' ' MET . 82.6 mt -107.27 147.39 30.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 124.012 0.925 . . . . 0.0 110.27 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 59.8 t80 -125.25 101.43 6.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.025 -152.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.551 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . 47.9 tt0 -120.08 147.78 44.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 120.436 1.471 . . . . 0.0 107.569 -167.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD23 HG21 ' A' ' 82' ' ' ILE . 3.0 mp -127.33 133.64 50.07 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.563 ' HE2' ' HG ' ' A' ' 24' ' ' LEU . 66.1 m80 -113.17 116.48 29.89 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.864 1.266 . . . . 0.0 108.091 -170.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 30.3 mm 49.27 44.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -168.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 HD23 ' A' ' 79' ' ' LEU 0.279 18.5 tt . . . . . 0 C--O 1.247 0.937 1 CA-C-O 110.53 -4.557 . . . . 0.0 113.916 -170.317 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -121.49 160.62 23.83 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 119.739 -1.851 . . . . 0.0 107.349 -169.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 20' ' ' GLU . 87.7 t -137.9 117.22 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 112.094 -2.321 . . . . 0.0 105.833 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 38' ' ' PHE . 94.2 mt -94.95 141.41 28.68 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 123.142 1.448 . . . . 0.0 110.283 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -68.76 148.66 50.02 Favored 'General case' 0 C--O 1.26 1.609 0 C-N-CA 126.704 2.002 . . . . 0.0 113.983 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -80.75 -15.95 55.12 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 117.627 -3.17 . . . . 0.0 113.09 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.437 HD21 ' HG3' ' A' ' 40' ' ' PRO . 91.0 m-20 -62.99 -40.49 97.9 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 123.294 2.77 . . . . 0.0 105.308 -169.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p . . . . . 0 CA--C 1.493 -1.213 0 C-N-CA 119.378 -0.929 . . . . 0.0 113.271 -167.823 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.92 -27.76 39.29 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.181 0 O-C-N 126.965 2.665 . . . . 0.0 113.276 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 25.6 tp10 -56.94 -45.32 82.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 117.493 -1.683 . . . . 0.0 113.28 168.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.86 -47.56 85.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 119.819 -1.801 . . . . 0.0 110.705 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.22 -38.85 91.72 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.253 1.021 . . . . 0.0 112.8 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -38.72 89.1 Favored 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 116.718 -1.611 . . . . 0.0 110.951 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 32.6 mt -53.79 -56.12 20.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.136 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 82.2 t80 -63.33 -46.67 85.55 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.322 -174.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -76.3 -40.23 52.08 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.55 -43.13 99.56 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 124.433 1.093 . . . . 0.0 108.985 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.62 ' HE2' HG13 ' A' ' 81' ' ' ILE . 23.5 t80 -60.64 -49.84 75.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -65.65 -40.49 92.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.126 -1.892 . . . . 0.0 111.516 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.31 -51.95 9.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.756 1.285 . . . . 0.0 109.657 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -128.54 157.51 41.0 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 126.268 1.827 . . . . 0.0 107.865 -157.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.97 103.68 11.64 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 162.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -160.13 159.3 31.6 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -139.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.751 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 96.8 p -129.88 155.23 46.36 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.12 -169.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.6 pt -126.31 156.98 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 120.792 1.633 . . . . 0.0 110.48 -174.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 54.7 m-85 -102.78 123.28 46.15 Favored 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 120.639 3.57 . . . . 0.0 120.639 149.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.677 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 54.4 t80 -109.48 98.2 7.63 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 -160.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HB3' HD21 ' A' ' 7' ' ' LEU . 25.3 t80 -95.49 94.42 7.78 Favored 'General case' 0 C--O 1.25 1.093 0 C-N-CA 130.179 3.392 . . . . 0.0 106.826 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.68 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -144.58 142.95 19.96 Favored Pre-proline 0 CA--C 1.496 -1.123 0 C-N-CA 125.784 1.634 . . . . 0.0 113.832 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HG3' HD21 ' A' ' 10' ' ' ASN . 88.8 Cg_endo -68.79 156.34 65.77 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 114.411 -3.26 . . . . 0.0 109.266 -121.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.0 m -67.21 -37.2 83.24 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 125.6 1.812 . . . . 0.0 115.221 161.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.44 -41.7 55.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 127.507 2.323 . . . . 0.0 114.75 -173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.96 -26.89 10.49 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.675 -1.21 . . . . 0.0 112.837 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.593 ' ND1' ' HE2' ' A' ' 73' ' ' LYS . 14.6 t60 61.61 22.35 12.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.042 2.537 . . . . 0.0 112.751 -170.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -97.36 -52.89 3.64 Favored 'General case' 0 CA--C 1.468 -2.199 0 O-C-N 120.901 -1.125 . . . . 0.0 111.599 -157.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 89.3 m-20 -59.34 -35.86 74.64 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 126.478 2.361 . . . . 0.0 109.291 170.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.1 ttm -68.58 -40.91 80.34 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.9 -43.94 94.53 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.6 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 99.2 mttt -63.48 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.465 1.106 . . . . 0.0 112.647 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -56.68 -48.37 77.79 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.3 -43.87 94.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -67.93 -40.17 83.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 118.461 -2.649 . . . . 0.0 114.838 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 7.2 m-30 -61.04 -45.16 95.91 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 121.758 -0.588 . . . . 0.0 112.277 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.634 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.6 m-30 -60.58 -46.03 91.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 -165.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.8 -43.58 98.57 Favored 'General case' 0 CA--C 1.492 -1.286 0 O-C-N 126.465 2.353 . . . . 0.0 110.184 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.01 -42.15 79.81 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.556 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.73 -65.81 0.63 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.81 38.2 20.59 Favored Glycine 0 CA--C 1.557 2.666 0 N-CA-C 120.843 3.097 . . . . 0.0 120.843 -156.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HD1' ' A' ' 25' ' ' TYR . 95.6 m-70 -106.3 -34.1 7.57 Favored 'General case' 0 N--CA 1.511 2.59 0 CA-C-N 123.585 3.693 . . . . 0.0 118.088 160.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.1 t -67.46 153.38 43.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.689 1.596 . . . . 0.0 108.243 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.82 -39.88 12.81 Favored 'General case' 0 N--CA 1.426 -1.66 0 O-C-N 120.38 -1.45 . . . . 0.0 108.751 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 78.9 t80 -149.37 152.52 35.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.623 1.827 . . . . 0.0 111.919 -170.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -133.45 137.91 45.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.732 1.213 . . . . 0.0 109.688 169.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 39.6 t0 -145.54 161.19 40.36 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 128.136 2.575 . . . . 0.0 114.921 172.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -72.32 161.73 30.45 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 118.049 -2.907 . . . . 0.0 109.132 168.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.69 HG13 HG22 ' A' ' 68' ' ' VAL . 56.1 t -91.04 133.58 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 150.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.507 HH11 ' HG ' ' A' ' 69' ' ' SER . 30.9 mmt180 -85.21 63.72 8.26 Favored 'General case' 0 C--O 1.198 -1.645 0 O-C-N 119.35 -2.094 . . . . 0.0 114.353 152.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.69 HG22 HG13 ' A' ' 66' ' ' VAL . 19.3 m -99.12 19.17 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.514 -1.991 . . . . 0.0 107.076 128.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.507 ' HG ' HH11 ' A' ' 67' ' ' ARG . 94.1 p -62.19 -48.88 78.09 Favored 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 127.197 2.199 . . . . 0.0 105.934 -170.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -62.51 -39.61 94.09 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.94 -40.12 68.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -131.35 -35.14 1.35 Allowed 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -167.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.667 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 86.0 tttt 59.28 39.57 22.37 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 130.074 3.35 . . . . 0.0 118.589 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -135.07 -7.05 2.34 Favored 'General case' 0 C--N 1.288 -2.074 1 O-C-N 115.322 -4.611 . . . . 0.0 115.707 -167.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 36' ' ' PHE . 40.2 m-85 -101.87 117.51 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 126.0 2.063 . . . . 0.0 114.084 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 56.8 mt -78.58 141.31 38.18 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.61 145.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.759 ' CD2' HD11 ' A' ' 79' ' ' LEU . 25.1 t80 -95.29 98.8 10.86 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 128.332 2.653 . . . . 0.0 108.178 171.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' C ' HD13 ' A' ' 79' ' ' LEU . 84.5 tt0 -119.91 121.33 38.78 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 122.307 2.321 . . . . 0.0 111.391 -174.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.759 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.8 mp -121.37 134.51 55.12 Favored 'General case' 0 CA--C 1.487 -1.453 0 O-C-N 119.159 -2.213 . . . . 0.0 109.541 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 30.2 m170 -113.2 125.24 54.12 Favored 'General case' 0 CA--C 1.481 -1.687 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.031 -160.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.62 HG13 ' HE2' ' A' ' 28' ' ' PHE . 32.5 mm 0.55 98.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -138.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 ' O ' HG21 ' A' ' 82' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 168.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.207 -1.137 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 36' ' ' PHE . 51.6 tp -113.22 132.54 55.47 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 120.348 1.431 . . . . 0.0 113.093 -163.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 20' ' ' GLU . 61.9 t -105.35 137.39 35.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 171.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.4 mt -107.53 141.39 39.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.74 1.733 . . . . 0.0 106.7 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -55.79 148.32 16.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.601 1.961 . . . . 0.0 111.342 163.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -61.75 -48.05 82.42 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-O 115.87 -2.014 . . . . 0.0 112.243 163.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.83 -42.23 67.22 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 121.605 2.002 . . . . 0.0 113.548 -149.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.43 ' OG1' ' HB3' ' A' ' 40' ' ' PRO . 52.8 m . . . . . 0 C--N 1.305 -1.328 0 O-C-N 125.357 1.66 . . . . 0.0 111.514 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.53 3.55 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.96 -33.44 55.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 O-C-N 124.532 1.145 . . . . 0.0 111.166 -167.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.689 ' HB2' HG11 ' A' ' 6' ' ' VAL . 42.2 tp10 -64.02 -46.85 82.63 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 93.9 mt -59.45 -47.36 85.79 Favored 'General case' 0 C--O 1.184 -2.372 0 O-C-N 120.446 -1.409 . . . . 0.0 108.823 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -65.64 -39.6 91.61 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.344 -2.741 . . . . 0.0 116.172 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.89 -34.63 77.03 Favored 'General case' 0 CA--C 1.475 -1.917 0 O-C-N 125.774 1.921 . . . . 0.0 106.581 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD12 ' HG3' ' A' ' 20' ' ' GLU . 8.2 mp -50.12 -65.63 0.53 Allowed 'General case' 0 C--O 1.187 -2.23 0 CA-C-O 114.833 -2.508 . . . . 0.0 106.595 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.94 -49.93 72.16 Favored 'General case' 0 C--N 1.384 2.105 1 O-C-N 129.97 4.544 . . . . 0.0 110.447 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -83.11 -36.0 25.17 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 117.189 -1.386 . . . . 0.0 113.161 -168.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.65 -38.79 92.44 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 81' ' ' ILE . 46.2 t80 -54.01 -59.88 4.06 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.456 174.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -63.87 -41.79 97.67 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 126.135 2.147 . . . . 0.0 106.653 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -76.2 -39.34 54.94 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 119.418 1.008 . . . . 0.0 112.939 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -153.65 169.33 23.55 Favored 'General case' 0 C--N 1.286 -2.159 0 C-N-CA 125.904 1.682 . . . . 0.0 112.007 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.685 ' HD3' HG22 ' A' ' 81' ' ' ILE . 99.4 mttt -118.81 124.01 46.16 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 118.665 -2.522 . . . . 0.0 116.116 172.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HG2' ' H ' ' A' ' 34' ' ' SER . 44.9 ttp180 -176.39 165.98 2.74 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 118.396 -2.69 . . . . 0.0 112.945 -139.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.581 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 41.2 t -155.9 136.68 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 117.964 -2.96 . . . . 0.0 108.575 -148.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 ' CE1' ' A' ' 80' ' ' HIS . 96.5 mt -140.74 150.84 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.614 -135.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.509 ' N ' HG22 ' A' ' 35' ' ' ILE . 78.2 m-85 -113.4 136.37 52.85 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 10.8 t80 -107.36 123.91 49.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 41.3 t80 -107.47 97.85 7.54 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 127.862 2.465 . . . . 0.0 110.404 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.665 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -139.67 149.9 61.27 Favored Pre-proline 0 N--CA 1.441 -0.915 0 C-N-CA 126.793 2.037 . . . . 0.0 114.554 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -74.85 150.86 39.56 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 116.038 -2.174 . . . . 0.0 116.179 -119.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.7 m -62.3 -48.53 79.44 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.9 -38.68 69.9 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 111.566 -2.561 . . . . 0.0 112.579 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.05 -26.87 9.48 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 118.437 2.754 . . . . 0.0 118.437 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 57.53 34.98 25.3 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.244 2.217 . . . . 0.0 110.137 -171.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -101.23 -54.82 2.69 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.577 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 80.7 m-20 -60.71 -37.11 80.57 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 116.582 -1.675 . . . . 0.0 107.084 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.412 ' HG3' HD12 ' A' ' 76' ' ' LEU . 51.8 ttm -67.45 -43.61 80.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 120.821 1.646 . . . . 0.0 113.605 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.87 -41.34 91.33 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -38.81 92.52 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 118.242 -0.885 . . . . 0.0 113.089 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -42.04 77.99 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.168 0.987 . . . . 0.0 112.709 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.28 -44.44 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 117.796 -1.562 . . . . 0.0 111.884 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.82 -39.44 80.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.21 -41.5 99.15 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.535 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 12.4 m-30 -61.83 -43.97 97.78 Favored 'General case' 0 C--O 1.16 -3.654 0 O-C-N 124.748 1.28 . . . . 0.0 110.964 -166.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.91 -37.48 78.97 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 113.33 -3.224 . . . . 0.0 110.874 175.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.23 -37.03 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 121.503 1.956 . . . . 0.0 109.825 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 21' ' ' LEU . 99.5 mttt -107.28 152.1 24.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 174.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.85 -12.55 84.06 Favored Glycine 0 C--O 1.194 -2.381 0 C-N-CA 130.071 3.7 . . . . 0.0 116.101 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.402 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 92.0 m-70 -65.43 -43.49 90.31 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 118.47 -2.782 . . . . 0.0 118.063 -164.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 6.7 t -65.3 161.34 19.72 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.91 -45.59 6.24 Favored 'General case' 0 N--CA 1.44 -0.971 0 O-C-N 120.279 -1.513 . . . . 0.0 109.862 164.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -134.88 157.58 46.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.414 -1.429 . . . . 0.0 112.6 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.447 ' CD1' ' OE1' ' A' ' 78' ' ' GLU . 61.8 tp -133.97 131.08 38.56 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.419 1.888 . . . . 0.0 112.987 168.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -138.83 165.78 26.14 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.105 -0.997 . . . . 0.0 112.293 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 21.4 pt-20 -68.17 165.14 18.88 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 165.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 68' ' ' VAL . 98.9 t -105.34 129.84 57.54 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 CA-C-N 118.92 0.782 . . . . 0.0 111.671 156.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 82.7 mtt85 -87.38 58.7 5.11 Favored 'General case' 0 C--O 1.201 -1.482 0 C-N-CA 127.284 2.234 . . . . 0.0 115.166 165.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.631 ' H ' HG11 ' A' ' 66' ' ' VAL . 34.5 m -108.42 22.68 4.05 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.612 0 O-C-N 119.417 -2.052 . . . . 0.0 107.476 132.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 67' ' ' ARG . 5.0 p -66.6 -34.84 78.77 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 128.246 2.618 . . . . 0.0 111.404 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.6 p -57.58 -42.7 83.62 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 121.508 1.958 . . . . 0.0 108.854 170.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.15 -35.41 36.65 Favored 'General case' 0 C--O 1.224 -0.254 1 N-CA-C 122.383 4.216 . . . . 0.0 122.383 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -116.11 -47.14 2.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 126.071 2.107 . . . . 0.0 114.733 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 88.1 tttt 50.73 49.12 21.6 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 126.693 1.997 . . . . 0.0 110.949 -166.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.83 -10.28 8.27 Favored 'General case' 0 CA--C 1.494 -1.208 0 O-C-N 119.935 -1.728 . . . . 0.0 108.13 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 48.5 m-85 -109.74 125.25 52.48 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.593 1.187 . . . . 0.0 112.438 -164.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 95.2 mt -104.38 143.04 33.53 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.035 164.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -111.43 105.67 14.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.134 1.445 . . . . 0.0 107.238 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 19.2 tp10 -98.41 144.46 27.76 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.881 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' HB3' ' HB ' ' A' ' 82' ' ' ILE . 2.7 mp -130.74 120.27 23.58 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 122.386 2.357 . . . . 0.0 108.545 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.635 ' CE1' HD13 ' A' ' 35' ' ' ILE . 58.9 m80 -110.32 125.25 52.97 Favored 'General case' 0 CA--C 1.486 -1.496 0 CA-C-N 123.236 2.744 . . . . 0.0 108.624 -170.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.685 HG22 ' HD3' ' A' ' 32' ' ' LYS . 19.9 mm 26.54 66.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -151.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 10.4 tp . . . . . 1 C--O 1.432 10.698 1 CA-C-O 111.27 -4.205 . . . . 0.0 111.209 173.185 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 119.074 -0.489 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 1.1 pp -139.97 155.01 47.32 Favored 'General case' 0 N--CA 1.406 -2.635 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.637 HG13 ' HE1' ' A' ' 37' ' ' TYR . 92.2 t -126.53 123.64 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 O-C-N 127.127 2.767 . . . . 0.0 111.802 165.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 38' ' ' PHE . 64.2 mt -92.7 146.8 23.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.984 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.781 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . . . -60.57 148.06 39.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.159 2.584 . . . . 0.0 111.422 164.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.72 -49.02 76.7 Favored 'General case' 0 C--O 1.175 -2.816 0 O-C-N 125.621 1.826 . . . . 0.0 111.844 162.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.467 ' HB3' ' HG3' ' A' ' 40' ' ' PRO . 62.3 t-20 -65.48 -45.94 81.72 Favored 'General case' 0 C--N 1.314 -0.976 1 O-C-N 116.15 -4.094 . . . . 0.0 117.053 -140.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 N--CA 1.436 -1.157 0 O-C-N 125.703 1.877 . . . . 0.0 115.393 175.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 121.563 0.697 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.23 -38.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 126.028 1.731 . . . . 0.0 115.263 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' CG ' ' HE1' ' A' ' 54' ' ' PHE . 17.4 tp10 -56.67 -48.0 78.58 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-O 124.549 2.119 . . . . 0.0 110.174 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.56 -50.32 74.33 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.972 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.4 -39.36 92.1 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.841 -1.162 . . . . 0.0 111.709 176.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -69.76 -34.86 74.38 Favored 'General case' 0 CA--C 1.47 -2.102 0 O-C-N 126.907 2.63 . . . . 0.0 113.543 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.679 HD21 HG23 ' A' ' 60' ' ' THR . 57.2 mt -54.54 -51.54 64.87 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 117.425 -1.71 . . . . 0.0 111.111 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 78.2 t80 -66.18 -46.66 76.55 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 124.295 1.038 . . . . 0.0 110.011 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -74.82 -39.46 61.65 Favored 'General case' 0 CA--C 1.481 -1.698 0 C-N-CA 118.048 -1.461 . . . . 0.0 114.148 -173.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.96 -42.01 97.41 Favored 'General case' 0 CA--C 1.475 -1.91 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.1 t80 -63.07 -46.73 86.06 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 117.78 -1.568 . . . . 0.0 115.07 -172.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -65.31 -48.49 72.92 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.69 -46.39 79.21 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 118.031 -1.468 . . . . 0.0 108.2 -166.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -148.01 162.9 38.42 Favored 'General case' 0 N--CA 1.412 -2.372 0 C-N-CA 126.634 1.974 . . . . 0.0 113.141 -157.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -120.49 124.32 45.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.663 ' HG2' ' N ' ' A' ' 34' ' ' SER . 38.3 ttm180 -164.79 173.18 12.06 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 125.621 1.568 . . . . 0.0 115.102 -133.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.663 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 83.4 p -154.86 163.6 40.05 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 119.053 -2.28 . . . . 0.0 114.56 172.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.447 HD12 ' HE2' ' A' ' 80' ' ' HIS . 38.7 pt -136.22 152.26 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-O 122.102 0.953 . . . . 0.0 108.991 -163.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.6 m-85 -92.91 147.81 22.54 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 120.406 -1.434 . . . . 0.0 112.034 152.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' HE1' HG13 ' A' ' 6' ' ' VAL . 74.2 t80 -122.27 118.04 27.59 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.922 -1.111 . . . . 0.0 110.063 175.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.655 ' HB3' HD21 ' A' ' 7' ' ' LEU . 67.5 t80 -100.33 96.44 7.44 Favored 'General case' 0 CA--C 1.474 -1.943 0 C-N-CA 127.432 2.293 . . . . 0.0 111.095 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -133.34 142.17 43.25 Favored Pre-proline 0 CA--C 1.485 -1.522 0 CA-C-O 117.599 -1.191 . . . . 0.0 113.272 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.781 ' HD2' ' CB ' ' A' ' 8' ' ' ALA . 22.1 Cg_exo -39.57 144.98 0.27 Allowed 'Trans proline' 0 C--N 1.4 3.252 2 O-C-N 133.274 6.407 . . . . 0.0 126.569 -143.285 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.4 m -66.96 -45.58 77.32 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 117.815 -1.554 . . . . 0.0 108.941 160.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 40' ' ' PRO . 16.3 p-10 -78.55 -13.31 59.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 -165.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -120.02 -28.53 5.12 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 159.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 m80 58.44 34.97 24.42 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 128.243 2.617 . . . . 0.0 114.337 -163.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -98.27 -55.01 2.89 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -171.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.01 -36.53 77.42 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 126.655 2.472 . . . . 0.0 107.689 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.467 ' HG3' HD13 ' A' ' 76' ' ' LEU . 63.5 ttp -64.15 -45.48 88.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.87 -42.69 90.05 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 122.667 1.222 . . . . 0.0 111.673 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.24 -35.43 80.4 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 125.518 1.527 . . . . 0.0 112.933 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.63 83.24 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 125.065 1.478 . . . . 0.0 110.508 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.01 -48.0 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 122.042 0.925 . . . . 0.0 108.569 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.05 -44.28 89.57 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.977 1.311 . . . . 0.0 111.566 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.57 -39.11 72.94 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 124.908 1.38 . . . . 0.0 109.085 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.738 ' HD2' HD12 ' A' ' 63' ' ' LEU . 6.9 m-85 -79.44 -32.19 42.69 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 -152.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.04 -44.43 72.69 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.32 -42.54 86.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 119.989 -0.685 . . . . 0.0 112.228 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HB3' ' HD2' ' A' ' 59' ' ' HIS . 98.0 mttt -100.69 145.87 27.9 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 120.525 -1.359 . . . . 0.0 111.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.73 4.34 70.08 Favored Glycine 0 C--O 1.193 -2.434 0 C-N-CA 127.494 2.473 . . . . 0.0 112.918 -166.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.609 ' HD2' ' HB3' ' A' ' 57' ' ' LYS . 94.2 m-70 -91.7 10.54 27.86 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 117.01 -3.641 . . . . 0.0 113.485 -156.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 24' ' ' LEU . 61.7 p -111.64 -127.79 0.28 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.557 -156.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.78 -49.99 0.09 Allowed 'General case' 0 CA--C 1.475 -1.921 0 O-C-N 116.428 -3.92 . . . . 0.0 104.029 142.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.569 ' O ' HD23 ' A' ' 79' ' ' LEU . 67.7 m-85 -147.08 165.79 28.87 Favored 'General case' 0 C--N 1.351 0.636 1 O-C-N 129.587 4.304 . . . . 0.0 110.255 166.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.738 HD12 ' HD2' ' A' ' 54' ' ' PHE . 3.7 tt -132.66 144.57 50.42 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 160.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -154.47 159.36 40.97 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 120.049 -1.657 . . . . 0.0 108.098 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.26 156.67 18.08 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 119.402 -2.062 . . . . 0.0 109.213 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.899 HG13 HG23 ' A' ' 68' ' ' VAL . 59.5 t -61.01 144.84 13.27 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 O-C-N 118.188 -2.82 . . . . 0.0 112.466 136.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' N ' HG12 ' A' ' 66' ' ' VAL . 37.2 mmt180 -87.29 66.69 9.3 Favored 'General case' 0 C--O 1.178 -2.708 1 O-C-N 114.981 -4.824 . . . . 0.0 119.988 139.497 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.899 HG23 HG13 ' A' ' 66' ' ' VAL . 35.7 m -107.69 10.21 9.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 117.563 -3.211 . . . . 0.0 106.966 123.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -64.07 -40.11 95.54 Favored 'General case' 0 C--O 1.186 -2.248 0 CA-C-O 123.203 1.477 . . . . 0.0 110.014 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.6 m -59.44 -41.21 89.1 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 119.088 -2.257 . . . . 0.0 111.308 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.38 -43.89 72.59 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 165.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -112.39 -34.15 5.97 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 119.302 3.075 . . . . 0.0 119.302 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 46.89 44.29 14.35 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 130.541 3.536 . . . . 0.0 119.09 -158.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.68 -43.35 6.84 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CE1' ' HD1' ' A' ' 38' ' ' PHE . 50.9 m-85 -109.98 109.04 19.49 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -160.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.467 HD13 ' HG3' ' A' ' 47' ' ' MET . 89.7 mt -89.6 146.27 24.68 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -114.58 122.51 46.74 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -119.08 130.1 55.43 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 120.875 -1.14 . . . . 0.0 111.589 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.621 HD12 ' CG1' ' A' ' 82' ' ' ILE . 2.3 pt? -111.29 130.82 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 118.744 -2.472 . . . . 0.0 107.553 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.526 ' HA ' ' O ' ' A' ' 60' ' ' THR . 11.0 m170 -106.84 118.61 37.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -174.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.567 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 96.8 mt 59.45 -45.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.186 -2.239 0 CA-C-O 115.828 -2.035 . . . . 0.0 108.48 -171.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.621 ' CG1' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.195 -1.777 0 CA-C-N 125.415 3.734 . . . . 0.0 113.585 -168.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HG2' HH21 ' A' ' 33' ' ' ARG . 98.8 mttt . . . . . 0 N--CA 1.435 -1.199 0 CA-C-O 115.556 -2.164 . . . . 0.0 105.959 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HA ' HG23 ' A' ' 35' ' ' ILE . 1.8 pp -132.58 161.6 33.42 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.096 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.548 HG11 ' CZ ' ' A' ' 37' ' ' TYR . 94.7 t -118.15 137.93 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 127.938 3.274 . . . . 0.0 105.108 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 38' ' ' PHE . 95.2 mt -112.86 147.47 36.92 Favored 'General case' 0 CA--C 1.485 -1.541 0 CA-C-N 120.455 1.479 . . . . 0.0 107.917 168.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -55.44 145.52 22.35 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.093 1.357 . . . . 0.0 110.859 170.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.22 -46.13 85.21 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.72 162.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -61.87 -48.8 78.91 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.089 1.768 . . . . 0.0 115.295 -148.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 178.419 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.939 0.876 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.85 -31.37 47.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.259 -171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.659 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 29.4 tp10 -64.99 -42.46 94.49 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.805 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.624 HD23 ' HD2' ' A' ' 57' ' ' LYS . 92.0 mt -60.53 -47.52 85.8 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 121.506 1.957 . . . . 0.0 112.543 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.21 -41.27 98.22 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 113.604 -1.634 . . . . 0.0 111.631 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.82 -35.56 72.55 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 124.934 1.396 . . . . 0.0 112.293 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.577 HD11 ' HG3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -58.19 -53.4 58.7 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.642 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -61.13 -49.62 76.52 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.946 0.899 . . . . 0.0 108.971 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.08 -41.0 59.69 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 115.958 -1.973 . . . . 0.0 113.05 -171.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.594 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 87.6 mt-10 -57.02 -46.35 82.43 Favored 'General case' 0 CA--C 1.462 -2.437 0 CA-C-N 120.444 1.475 . . . . 0.0 110.588 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -57.7 -64.79 0.78 Allowed 'General case' 0 C--O 1.3 3.757 0 O-C-N 126.169 2.168 . . . . 0.0 109.84 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -54.13 -43.81 70.83 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 125.29 1.436 . . . . 0.0 110.7 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.19 -45.35 63.59 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 125.466 1.729 . . . . 0.0 110.159 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -154.11 162.81 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.099 1.759 . . . . 0.0 114.583 -157.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -115.92 113.57 23.48 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 120.012 3.338 . . . . 0.0 120.012 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 16.3 ptm180 -167.49 169.72 11.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.502 1.121 . . . . 0.0 110.727 -141.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 72.1 p -137.52 156.98 47.5 Favored 'General case' 0 C--O 1.265 1.886 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.398 -160.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.554 HG23 ' HA ' ' A' ' 5' ' ' LEU . 75.9 mt -131.95 149.6 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 123.162 1.458 . . . . 0.0 110.99 -173.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -100.35 127.25 46.71 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.941 158.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.665 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -97.25 114.73 26.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.835 171.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -93.91 97.64 10.51 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 125.361 1.464 . . . . 0.0 109.617 172.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -136.21 147.34 60.03 Favored Pre-proline 0 C--O 1.208 -1.122 0 O-C-N 121.568 -0.708 . . . . 0.0 111.669 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.634 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 92.0 Cg_endo -61.05 150.53 83.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 117.031 1.897 . . . . 0.0 117.031 -131.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.0 m -72.27 -37.2 69.1 Favored 'General case' 0 C--O 1.205 -1.288 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 158.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.85 -43.17 84.32 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 126.257 1.823 . . . . 0.0 113.421 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.95 -22.99 13.04 Favored 'General case' 1 C--O 1.124 -5.526 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -169.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 67.9 -39.24 0.38 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 129.434 3.094 . . . . 0.0 115.336 -145.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.29 -47.89 83.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.353 1.861 . . . . 0.0 113.376 -132.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.634 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 84.1 m-20 -63.72 -37.27 86.73 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.0 ttp -64.3 -41.37 96.88 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 124.169 0.918 . . . . 0.0 108.927 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.96 -43.37 98.85 Favored 'General case' 0 C--O 1.205 -1.244 0 C-N-CA 123.73 0.812 . . . . 0.0 111.684 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -37.79 87.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.938 1.295 . . . . 0.0 111.944 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.57 90.47 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.64 -44.1 84.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 CA-C-O 124.216 1.96 . . . . 0.0 107.159 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.2 -39.78 78.43 Favored 'General case' 0 CA--C 1.475 -1.904 0 O-C-N 118.958 -2.338 . . . . 0.0 113.965 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -58.8 -40.64 84.66 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.998 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.756 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 21.8 m-85 -74.11 -34.21 63.85 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.64 1.21 . . . . 0.0 109.415 -162.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.07 -35.24 76.31 Favored 'General case' 0 C--O 1.204 -1.329 0 C-N-CA 127.427 2.291 . . . . 0.0 114.34 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.73 -43.39 98.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 120.639 1.563 . . . . 0.0 114.133 168.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.624 ' HD2' HD23 ' A' ' 21' ' ' LEU . 99.3 mttt -121.98 134.41 54.82 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.05 -2.65 62.51 Favored Glycine 0 C--O 1.22 -0.755 0 C-N-CA 130.607 3.956 . . . . 0.0 119.5 -159.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 98.2 m-70 -77.63 -38.26 48.33 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-N 123.247 3.523 . . . . 0.0 117.679 -165.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 10.0 t -69.24 151.24 46.53 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 119.002 -2.311 . . . . 0.0 111.162 -177.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' ' 82' ' ' ILE . . . -85.82 -38.51 18.07 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 101.066 -3.679 . . . . 0.0 101.066 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.61 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 53.9 t80 -158.67 158.6 34.08 Favored 'General case' 0 N--CA 1.412 -2.358 0 O-C-N 125.069 1.481 . . . . 0.0 111.541 -175.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.756 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -131.07 130.85 43.74 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.61 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 45.4 t0 -143.88 163.77 32.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 119.754 1.161 . . . . 0.0 111.196 174.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.19 167.54 17.64 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 118.784 -2.447 . . . . 0.0 109.897 170.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 68' ' ' VAL . 33.0 m -70.29 152.98 8.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -92.03 57.35 3.1 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-N 120.822 1.646 . . . . 0.0 113.416 140.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 66' ' ' VAL . 33.3 m -102.7 19.94 3.22 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.55 0 O-C-N 117.095 -3.503 . . . . 0.0 107.781 127.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.01 -39.57 90.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 118.589 -2.569 . . . . 0.0 111.97 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -62.01 -43.03 99.71 Favored 'General case' 0 C--O 1.17 -3.103 0 O-C-N 124.477 1.111 . . . . 0.0 109.408 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -74.29 -43.22 57.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -120.84 -53.46 2.07 Favored 'General case' 0 CA--C 1.472 -2.046 0 O-C-N 126.398 2.311 . . . . 0.0 106.487 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 17.8 tppt? 51.88 47.07 25.5 Favored 'General case' 0 C--O 1.191 -1.977 0 CA-C-O 124.17 1.938 . . . . 0.0 112.209 -171.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -102.94 -31.89 10.02 Favored 'General case' 0 N--CA 1.484 1.269 1 O-C-N 114.847 -4.908 . . . . 0.0 110.881 162.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 48.4 m-85 -112.92 126.18 55.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.092 1.425 . . . . 0.0 109.289 -147.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 84.6 mt -93.67 138.32 32.02 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.63 -2.077 . . . . 0.0 113.807 155.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.2 t80 -106.35 114.4 28.49 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -135.4 124.76 24.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -167.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.9 mp -118.32 137.42 53.09 Favored 'General case' 0 CA--C 1.488 -1.433 0 O-C-N 119.879 -1.763 . . . . 0.0 106.393 -160.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 61.4 m80 -118.63 116.21 26.14 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 118.897 0.771 . . . . 0.0 111.504 -165.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 25.7 mm 46.03 55.23 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -161.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' ' 61' ' ' ALA . 59.1 mt . . . . . 0 C--O 1.298 3.652 0 O-C-N 117.86 -3.025 . . . . 0.0 116.996 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.623 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.0 mttt . . . . . 0 N--CA 1.429 -1.522 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.623 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 1.3 pp -122.78 156.09 35.21 Favored 'General case' 0 CA--C 1.484 -1.569 0 C-N-CA 116.564 -2.055 . . . . 0.0 110.547 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.522 ' CG1' ' HB3' ' A' ' 20' ' ' GLU . 67.7 t -121.32 146.52 26.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 126.444 2.34 . . . . 0.0 108.276 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 38' ' ' PHE . 96.8 mt -116.5 134.9 54.32 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 119.484 -2.01 . . . . 0.0 105.919 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -56.93 143.86 36.01 Favored 'General case' 0 N--CA 1.411 -2.392 0 C-N-CA 129.856 3.262 . . . . 0.0 107.384 162.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.09 -46.02 90.95 Favored 'General case' 0 CA--C 1.565 1.52 0 O-C-N 127.542 3.026 . . . . 0.0 111.199 165.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.03 -43.69 94.81 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 115.646 -2.422 . . . . 0.0 108.511 -136.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.546 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.421 -1.91 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.43 -47.15 88.87 Favored 'Isoleucine or valine' 0 C--N 1.371 1.518 0 O-C-N 126.922 2.639 . . . . 0.0 116.387 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.682 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 23.8 pt-20 -60.82 -46.35 90.89 Favored 'General case' 1 C--O 1.105 -6.525 0 CA-C-O 124.842 2.258 . . . . 0.0 111.87 179.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 96.5 mt -63.72 -44.28 94.07 Favored 'General case' 0 N--CA 1.487 1.407 1 O-C-N 113.567 -5.708 . . . . 0.0 107.854 -176.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -78.39 -33.4 48.84 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.947 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -63.4 -35.23 79.74 Favored 'General case' 0 CA--C 1.463 -2.383 0 O-C-N 120.845 -1.159 . . . . 0.0 108.787 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.725 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.2 mp -65.27 -45.85 82.82 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 117.133 -3.479 . . . . 0.0 108.361 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.474 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 64.0 m-85 -58.96 -50.92 72.25 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -74.91 -43.78 52.36 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 116.836 -1.946 . . . . 0.0 114.348 -159.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 1.003 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 64.0 mt-10 -64.65 -45.12 88.1 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 126.153 2.158 . . . . 0.0 105.625 -172.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.801 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -53.15 -61.2 2.45 Favored 'General case' 1 C--O 1.31 4.289 0 C-N-CA 124.397 1.079 . . . . 0.0 110.8 177.524 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -57.94 -45.81 86.04 Favored 'General case' 0 CA--C 1.487 -1.469 0 O-C-N 126.294 2.246 . . . . 0.0 111.585 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -80.41 -41.11 25.14 Favored 'General case' 0 CA--C 1.483 -1.633 0 O-C-N 126.327 2.267 . . . . 0.0 111.94 -173.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.712 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 6.1 p30 -148.18 171.51 15.8 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.955 -1.09 . . . . 0.0 111.172 -171.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 81' ' ' ILE . 97.5 mttt -119.64 115.81 24.71 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 1.003 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ptm180 -165.3 168.29 17.05 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.701 -1.249 . . . . 0.0 107.837 -137.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.695 ' HB3' HD23 ' A' ' 79' ' ' LEU . 91.1 p -127.83 161.34 29.24 Favored 'General case' 0 C--N 1.275 -2.673 0 O-C-N 119.008 -2.307 . . . . 0.0 105.436 -178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.681 HD13 ' OE1' ' A' ' 78' ' ' GLU . 31.5 pt -133.52 160.31 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 127.774 2.43 . . . . 0.0 112.995 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 26.9 m-85 -107.94 118.23 36.22 Favored 'General case' 0 CA--C 1.481 -1.71 0 C-N-CA 129.894 3.278 . . . . 0.0 106.158 168.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CE1' HG13 ' A' ' 6' ' ' VAL . 7.3 t80 -97.77 126.14 42.96 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' HB2' HD21 ' A' ' 7' ' ' LEU . 93.8 m-85 -106.61 116.61 32.23 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -155.68 140.36 11.97 Favored Pre-proline 0 CA--C 1.485 -1.531 0 O-C-N 126.154 2.159 . . . . 0.0 115.305 -176.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 86.4 Cg_endo -69.14 148.96 70.27 Favored 'Trans proline' 1 CA--C 1.62 4.809 0 C-N-CA 116.51 -1.86 . . . . 0.0 116.888 -119.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 m -63.69 -43.98 95.05 Favored 'General case' 1 C--N 1.439 4.481 0 O-C-N 125.015 1.447 . . . . 0.0 108.317 167.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.4 -43.93 97.66 Favored 'General case' 0 N--CA 1.503 2.213 1 C-N-CA 132.376 4.27 . . . . 0.0 118.537 -170.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.12 -20.01 12.08 Favored 'General case' 0 CA--C 1.481 -1.684 0 N-CA-C 119.581 3.178 . . . . 0.0 119.581 173.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.5 m80 54.27 39.26 30.68 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.879 0.872 . . . . 0.0 112.962 -167.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.57 -50.81 2.83 Favored 'General case' 0 CA--C 1.474 -1.956 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.5 -167.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.701 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 97.7 m-20 -60.69 -37.65 82.34 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 115.303 -2.559 . . . . 0.0 111.368 171.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.76 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.4 ttp -61.81 -43.59 98.54 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 119.107 3.003 . . . . 0.0 119.107 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.53 -40.1 93.45 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.004 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.9 mttt -63.75 -37.13 86.21 Favored 'General case' 0 C--O 1.199 -1.561 0 O-C-N 124.072 0.858 . . . . 0.0 111.941 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.49 89.94 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.16 -49.13 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 99.3 m-20 -64.71 -46.89 80.38 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.312 1.445 . . . . 0.0 111.038 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 23.1 m-30 -65.51 -44.65 86.32 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 115.188 -2.605 . . . . 0.0 117.512 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' HD22 ' A' ' 24' ' ' LEU . 14.9 m-30 -63.07 -33.56 75.7 Favored 'General case' 0 CA--C 1.477 -1.834 0 O-C-N 128.274 3.484 . . . . 0.0 107.206 -170.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.96 -40.63 78.8 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 98.3 mt-10 -52.75 -28.61 22.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -116.62 150.07 38.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 128.825 2.85 . . . . 0.0 115.913 176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.08 -10.7 86.03 Favored Glycine 0 CA--C 1.491 -1.414 0 O-C-N 126.295 2.247 . . . . 0.0 116.295 -171.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.547 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 99.3 m-70 -62.06 -44.79 95.92 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -170.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.456 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 11.5 t -67.01 153.27 44.07 Favored 'General case' 0 N--CA 1.408 -2.571 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.52 -48.61 5.2 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 128.854 2.862 . . . . 0.0 108.476 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -143.06 148.02 36.01 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' O ' ' A' ' 77' ' ' TYR . 58.4 tp -125.65 143.96 50.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 157.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -150.47 -176.57 5.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 118.685 0.675 . . . . 0.0 109.299 168.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.01 167.37 16.95 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 116.741 -3.725 . . . . 0.0 104.329 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.746 HG12 HG22 ' A' ' 68' ' ' VAL . 94.9 t -93.05 142.02 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.566 139.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.521 ' N ' HG13 ' A' ' 66' ' ' VAL . 28.3 mmt180 -84.94 19.14 2.2 Favored 'General case' 1 C--O 1.147 -4.293 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.746 HG22 HG12 ' A' ' 66' ' ' VAL . 22.2 m -82.72 2.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.97 0 O-C-N 118.466 -2.647 . . . . 0.0 104.484 146.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.597 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 98.7 p -64.68 -42.45 95.34 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 101.75 -3.426 . . . . 0.0 101.75 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -60.06 -38.85 84.03 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 124.687 1.242 . . . . 0.0 111.828 -171.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -81.98 -45.37 15.45 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -102.33 -35.72 8.72 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 126.508 2.38 . . . . 0.0 105.032 -167.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 70.1 mmtt 53.92 42.49 31.68 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.844 3.257 . . . . 0.0 118.552 -154.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -94.0 -29.86 15.01 Favored 'General case' 0 N--CA 1.522 3.142 0 C-N-CA 116.555 -2.058 . . . . 0.0 113.758 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -145.7 101.04 3.51 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 118.113 -2.867 . . . . 0.0 103.898 -111.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.76 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 81.1 mt -113.65 135.36 54.01 Favored 'General case' 0 CA--C 1.462 -2.414 0 O-C-N 125.516 1.76 . . . . 0.0 108.361 -164.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.543 ' O ' HD11 ' A' ' 63' ' ' LEU . 65.8 t80 -106.51 107.18 18.06 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.637 1.575 . . . . 0.0 108.825 -172.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.681 ' OE1' HD13 ' A' ' 35' ' ' ILE . 88.1 tt0 -116.36 139.88 49.94 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 125.847 1.659 . . . . 0.0 106.86 -174.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 34' ' ' SER . 21.4 mt -125.74 134.17 51.85 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.658 ' HE2' ' HG ' ' A' ' 24' ' ' LEU . 67.4 m80 -111.08 120.76 43.41 Favored 'General case' 0 CA--C 1.465 -2.309 0 C-N-CA 126.482 1.913 . . . . 0.0 113.991 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.562 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 46.2 mm 41.43 53.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 118.98 2.956 . . . . 0.0 118.98 -166.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.556 HD13 HD12 ' A' ' 79' ' ' LEU . 20.2 tt . . . . . 0 N--CA 1.518 2.966 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 -164.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 C--O 1.248 1.008 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.628 ' O ' HD11 ' A' ' 5' ' ' LEU . 3.0 pp -135.1 161.1 36.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 160.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.505 HG13 ' HB2' ' A' ' 20' ' ' GLU . 94.7 t -125.15 120.97 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.577 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -93.96 145.99 24.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 123.519 1.628 . . . . 0.0 108.472 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -71.51 151.78 43.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 124.657 2.17 . . . . 0.0 112.302 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -86.18 -30.93 22.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 111.708 -2.496 . . . . 0.0 113.15 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -63.11 -45.87 89.98 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 122.704 2.502 . . . . 0.0 111.32 -167.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.242 0.664 0 C-N-CA 118.237 -1.385 . . . . 0.0 113.386 173.399 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.56 -38.83 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 C-N-CA 125.467 1.507 . . . . 0.0 111.712 -155.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.749 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 49.9 tp10 -64.23 -41.39 97.03 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 117.48 -1.688 . . . . 0.0 111.572 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 57' ' ' LYS . 96.0 mt -60.21 -45.11 94.29 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.445 -1.409 . . . . 0.0 111.927 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -39.33 93.45 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 115.225 -2.321 . . . . 0.0 113.601 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.3 -44.26 95.52 Favored 'General case' 0 CA--C 1.481 -1.679 0 O-C-N 125.135 1.522 . . . . 0.0 107.077 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 80.1 mt -54.61 -57.49 11.21 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 122.507 1.146 . . . . 0.0 109.752 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -66.59 -49.97 64.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.14 -176.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.36 -45.15 85.29 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.294 1.045 . . . . 0.0 110.176 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 97.1 mt-10 -74.82 -37.62 62.27 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 115.291 -2.29 . . . . 0.0 114.611 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.56 -45.14 81.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.95 1.406 . . . . 0.0 108.596 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.9 p -73.59 -40.37 63.93 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.183 -1.573 . . . . 0.0 114.404 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -71.68 -40.68 69.43 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 119.914 1.233 . . . . 0.0 113.189 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.11 165.91 32.4 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 123.219 0.608 . . . . 0.0 111.779 -164.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HG2' HG21 ' A' ' 81' ' ' ILE . 96.1 mttt -118.42 118.48 31.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 118.278 -2.764 . . . . 0.0 114.868 168.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 11.5 ptp180 -160.68 172.38 17.2 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 120.738 -1.226 . . . . 0.0 112.321 -145.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.8 p -136.2 160.11 39.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 119.132 0.878 . . . . 0.0 111.479 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' A' ' 27' ' ' GLU . 95.1 mt -132.71 144.9 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 124.677 2.179 . . . . 0.0 111.585 -168.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -98.2 138.68 35.12 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 120.277 -1.514 . . . . 0.0 111.267 167.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 12.2 t80 -115.37 107.29 15.03 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 4.8 t80 -90.53 101.07 13.81 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -143.6 152.94 57.67 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 172.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 66.5 Cg_endo -67.36 146.18 74.2 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.788 1.659 . . . . 0.0 110.923 -120.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.7 m -61.69 -42.71 99.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 124.174 0.921 . . . . 0.0 108.579 160.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.11 -61.65 1.95 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 117.34 -1.744 . . . . 0.0 107.788 -156.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -66.67 -43.61 84.06 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 73' ' ' LYS . 87.3 m-70 73.2 -14.24 0.63 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.076 2.15 . . . . 0.0 116.096 -151.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.67 -47.44 69.49 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 119.159 -2.213 . . . . 0.0 116.16 -158.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.599 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 83.1 m-20 -64.57 -35.95 82.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.901 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.408 ' H ' ' HD2' ' A' ' 40' ' ' PRO . 63.7 ttp -64.86 -41.17 95.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.529 1.143 . . . . 0.0 110.812 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.19 -40.82 94.74 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.47 -36.63 83.09 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.588 173.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.54 81.07 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 119.299 0.954 . . . . 0.0 111.98 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.41 -45.62 78.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.043 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.32 -44.81 86.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.81 -34.95 78.35 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.267 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.749 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.4 m-85 -75.2 -33.9 61.46 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 122.031 -0.418 . . . . 0.0 111.603 -168.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.11 -40.45 94.52 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 125.329 1.452 . . . . 0.0 111.252 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.24 -35.04 76.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.175 0.99 . . . . 0.0 112.522 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HD2' HD23 ' A' ' 21' ' ' LEU . 97.1 mttt -121.01 133.31 55.26 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 117.644 -1.17 . . . . 0.0 113.26 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 4.36 68.54 Favored Glycine 0 CA--C 1.557 2.699 0 C-N-CA 130.497 3.903 . . . . 0.0 122.453 -163.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m-70 -79.64 -38.67 33.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 121.459 2.629 . . . . 0.0 117.916 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.9 t -56.68 140.35 47.47 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 120.202 -1.562 . . . . 0.0 112.396 166.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' A' ' 82' ' ' ILE . . . -68.14 -48.24 65.91 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.141 -0.974 . . . . 0.0 110.104 163.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.407 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -158.83 153.21 24.11 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.91 HD13 HD13 ' A' ' 76' ' ' LEU . 4.8 tt -124.8 138.48 54.27 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 120.638 1.563 . . . . 0.0 113.223 164.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.632 ' N ' HD21 ' A' ' 63' ' ' LEU . 6.9 t0 -137.01 168.55 19.38 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 163.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.529 ' HB2' HH12 ' A' ' 67' ' ' ARG . 96.4 mt-10 -70.12 172.91 7.24 Favored 'General case' 0 C--O 1.246 0.907 0 O-C-N 120.072 -1.642 . . . . 0.0 111.048 169.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -79.35 162.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 119.06 -2.275 . . . . 0.0 112.644 148.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.529 HH12 ' HB2' ' A' ' 65' ' ' GLU . 65.9 mmt-85 -98.76 52.32 0.99 Allowed 'General case' 0 C--O 1.206 -1.224 0 O-C-N 117.398 -3.314 . . . . 0.0 116.775 149.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -107.16 11.05 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.493 -1.38 . . . . 0.0 109.548 132.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.702 ' HG ' ' N ' ' A' ' 70' ' ' THR . 90.3 p -54.54 -42.54 71.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.702 ' N ' ' HG ' ' A' ' 69' ' ' SER . 23.1 m -65.67 -41.8 92.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.123 -161.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -76.15 -47.05 25.76 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 127.715 3.134 . . . . 0.0 113.554 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -130.07 -10.75 4.26 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 122.946 2.612 . . . . 0.0 116.98 -162.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 96.1 mttt 48.0 40.9 14.13 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -115.32 -34.11 5.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 122.707 2.503 . . . . 0.0 115.875 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 86.8 m-85 -106.45 121.39 44.17 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -171.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.91 HD13 HD13 ' A' ' 63' ' ' LEU . 57.3 mt -77.83 152.76 33.28 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 156.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -110.74 112.38 24.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 124.837 1.255 . . . . 0.0 109.491 157.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -131.36 132.2 44.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 123.01 1.386 . . . . 0.0 111.29 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 82' ' ' ILE . 4.4 mp -117.35 127.4 54.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 119.514 -1.991 . . . . 0.0 108.612 -158.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 17.1 m170 -108.96 119.68 40.28 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 120.347 1.43 . . . . 0.0 108.666 -168.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.44 HG21 ' HG2' ' A' ' 32' ' ' LYS . 20.5 tt 32.62 61.9 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 123.188 1.471 . . . . 0.0 114.448 -164.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 79' ' ' LEU . 21.2 tt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 120.695 3.591 . . . . 0.0 120.695 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.44 -0.967 0 CA-C-O 116.221 -1.847 . . . . 0.0 114.333 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 36' ' ' PHE . 96.4 mt -76.2 165.63 24.62 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 123.725 2.966 . . . . 0.0 112.732 173.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.616 HG11 ' HB2' ' A' ' 20' ' ' GLU . 86.3 t -124.51 148.78 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 C-N-CA 128.834 2.854 . . . . 0.0 109.29 142.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -107.92 146.07 32.89 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . . . -60.89 155.58 19.41 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 127.146 2.178 . . . . 0.0 111.463 158.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -62.8 -44.81 95.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 161.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -36.15 82.1 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.394 1.477 . . . . 0.0 112.005 -156.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 40' ' ' PRO . 41.8 p . . . . . 0 C--N 1.321 -0.638 0 C-N-CA 115.777 -2.369 . . . . 0.0 113.443 -173.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 p . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 119.425 3.121 . . . . 0.0 119.425 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.42 -40.6 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -161.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.833 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 37.1 tp10 -64.79 -43.75 92.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 117.756 -1.578 . . . . 0.0 109.347 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.25 -47.35 85.67 Favored 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 118.145 -1.422 . . . . 0.0 111.998 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.69 -40.07 95.97 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.75 -32.52 72.33 Favored 'General case' 0 CA--C 1.476 -1.896 0 O-C-N 124.403 1.064 . . . . 0.0 110.218 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' OE2' ' A' ' 20' ' ' GLU . 53.9 mt -54.68 -54.38 42.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.932 0.873 . . . . 0.0 109.399 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 52.8 t80 -64.87 -47.98 75.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.157 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 59.4 m170 -70.52 -45.43 65.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.429 1.081 . . . . 0.0 113.276 -168.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 99.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 CA--C 1.479 -1.771 0 O-C-N 125.144 1.527 . . . . 0.0 111.13 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.23 -49.18 78.18 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 124.645 1.215 . . . . 0.0 111.391 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -65.61 -41.06 93.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.181 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -87.21 -42.89 12.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -170.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -132.69 159.32 39.98 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 126.982 2.113 . . . . 0.0 109.165 -163.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 97.2 mttt -106.74 129.95 54.54 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 119.136 -2.228 . . . . 0.0 110.091 157.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ttm180 -155.64 158.69 38.74 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.157 -0.964 . . . . 0.0 111.706 -143.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.467 ' HB2' HD22 ' A' ' 79' ' ' LEU . 84.7 p -126.0 164.4 20.92 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.364 161.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 35' ' ' ILE . 47.7 mm -132.3 156.48 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 125.027 1.331 . . . . 0.0 109.437 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.613 ' HB2' HD21 ' A' ' 5' ' ' LEU . 47.2 m-85 -117.49 129.27 55.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.377 1.871 . . . . 0.0 109.005 160.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 89.0 t80 -107.26 107.7 18.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 61.4 t80 -85.28 91.28 8.12 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 127.094 2.158 . . . . 0.0 110.035 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.582 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . . . -141.25 147.06 45.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 O-C-N 119.971 -1.706 . . . . 0.0 114.168 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 72.9 Cg_endo -65.9 149.43 86.43 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 CA-C-O 118.117 -0.868 . . . . 0.0 114.121 -115.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.472 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 9.8 t -68.74 -32.0 71.47 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-O 117.375 -1.298 . . . . 0.0 111.206 166.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -77.91 -38.52 45.42 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 129.502 3.121 . . . . 0.0 117.055 -171.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -121.3 -9.98 9.0 Favored 'General case' 0 C--O 1.182 -2.461 0 CA-C-O 114.636 -2.602 . . . . 0.0 116.708 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 48.27 41.78 16.69 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 130.408 3.483 . . . . 0.0 106.171 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 97.1 mttt -118.0 -43.78 2.74 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.077 1.308 . . . . 0.0 108.875 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.622 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 69.4 m-20 -60.26 -39.08 85.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 117.908 -1.517 . . . . 0.0 110.19 165.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.474 ' CE ' ' HE3' ' A' ' 73' ' ' LYS . 25.4 ptm -67.49 -39.26 85.2 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 117.857 -3.027 . . . . 0.0 115.981 177.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.42 -39.52 94.01 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 119.685 1.13 . . . . 0.0 109.464 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.22 -35.36 80.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.669 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -58.39 -41.83 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.78 -44.13 85.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 O-C-N 124.219 0.95 . . . . 0.0 108.643 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.97 -45.43 93.69 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.47 -39.32 83.3 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.833 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 10.8 m-85 -74.49 -35.6 63.24 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 125.838 1.962 . . . . 0.0 107.749 -161.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.19 -46.34 74.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 128.466 2.707 . . . . 0.0 111.728 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -49.63 -38.94 34.05 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 123.047 2.658 . . . . 0.0 112.859 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 99.1 mttt -99.06 152.6 19.66 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 126.673 2.483 . . . . 0.0 114.822 176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.86 -8.98 87.5 Favored Glycine 0 CA--C 1.527 0.789 0 O-C-N 120.731 -1.23 . . . . 0.0 113.706 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 64.1 m170 -58.16 -34.42 70.29 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -156.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -100.2 139.77 35.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.283 1.833 . . . . 0.0 113.986 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' H ' ' HA ' ' A' ' 80' ' ' HIS . . . -57.06 -47.26 81.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.412 173.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -163.93 164.34 23.32 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 124.272 0.982 . . . . 0.0 111.262 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 46.0 tp -130.17 140.51 50.75 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 163.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.34 173.85 11.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.533 -0.729 . . . . 0.0 109.502 168.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.43 166.83 20.88 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 119.641 -1.912 . . . . 0.0 112.242 165.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' CG1' ' H ' ' A' ' 68' ' ' VAL . 44.6 t -85.58 135.72 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 144.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.594 ' HA ' ' H ' ' A' ' 69' ' ' SER . 78.9 mtt-85 -88.25 65.22 7.97 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 118.02 -2.925 . . . . 0.0 117.326 149.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.441 ' H ' ' CG1' ' A' ' 66' ' ' VAL . 32.7 m -95.14 17.5 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 128.777 2.831 . . . . 0.0 110.271 117.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.594 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 80.0 p -62.59 -40.05 95.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 120.053 -1.655 . . . . 0.0 112.032 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.4 p -63.32 -36.64 84.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 121.156 -0.965 . . . . 0.0 108.414 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -75.68 -41.5 53.67 Favored 'General case' 0 C--O 1.206 -1.198 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.89 -49.63 1.6 Allowed 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -165.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 50.8 tptt 65.43 15.72 10.17 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.667 2.387 . . . . 0.0 114.21 172.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.472 ' OD2' ' HB ' ' A' ' 41' ' ' THR . 5.3 m-20 -71.06 -36.42 72.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 162.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HE1' HD23 ' A' ' 5' ' ' LEU . 55.7 m-85 -106.73 115.02 29.48 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 122.379 1.085 . . . . 0.0 113.179 -162.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 80.4 mt -84.4 150.82 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 113.49 -1.686 . . . . 0.0 109.102 158.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -130.66 131.78 45.07 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 118.847 -1.141 . . . . 0.0 113.996 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -137.14 146.41 44.97 Favored 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -152.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' A' ' 34' ' ' SER . 78.9 mt -130.68 134.71 47.17 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 117.626 -1.63 . . . . 0.0 108.465 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.42 ' HA ' ' H ' ' A' ' 61' ' ' ALA . 24.6 m170 -118.1 104.38 10.78 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 32' ' ' LYS . 80.8 mt 77.38 -48.89 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-O 114.404 -2.712 . . . . 0.0 108.078 -172.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 19.7 tt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 114.011 -2.899 . . . . 0.0 112.063 -165.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HG3' HD13 ' A' ' 5' ' ' LEU . 61.3 pttt . . . . . 0 C--O 1.185 -2.296 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.621 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.1 mp -121.65 160.75 23.78 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 117.599 -1.641 . . . . 0.0 106.764 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 HD13 ' A' ' 35' ' ' ILE . 80.0 t -126.62 151.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 126.772 2.029 . . . . 0.0 108.757 168.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' HA ' HD21 ' A' ' 7' ' ' LEU . 74.4 mt -118.37 136.0 54.0 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 124.991 1.316 . . . . 0.0 107.625 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -73.45 142.32 46.86 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 127.397 2.279 . . . . 0.0 111.955 164.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.16 -27.3 67.18 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 130.759 3.623 . . . . 0.0 115.642 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -88.76 -8.77 53.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 CA-C-N 125.122 3.601 . . . . 0.0 111.85 -168.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.179 -2.63 0 CA-C-N 125.489 3.768 . . . . 0.0 119.973 162.014 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 6' ' ' VAL . 63.6 t -66.1 -40.73 87.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -155.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' HG11 ' A' ' 6' ' ' VAL . 21.7 pt-20 -59.98 -44.58 94.4 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 120.399 -1.438 . . . . 0.0 111.693 174.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD22 ' HZ2' ' A' ' 57' ' ' LYS . 95.9 mt -64.4 -44.73 90.37 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 117.546 -1.662 . . . . 0.0 107.899 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -40.33 84.16 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 58.3 t0 -65.54 -38.17 88.85 Favored 'General case' 0 C--O 1.174 -2.899 0 O-C-N 125.277 1.61 . . . . 0.0 108.222 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 HD23 ' HE2' ' A' ' 80' ' ' HIS . 71.8 mt -57.21 -54.84 42.2 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.053 -1.654 . . . . 0.0 111.462 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.459 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 49.8 t80 -58.86 -52.76 64.34 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.459 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 47.8 m170 -75.68 -36.15 60.15 Favored 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 125.747 1.904 . . . . 0.0 111.063 -167.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.68 ' OE2' ' HB3' ' A' ' 33' ' ' ARG . 79.7 tt0 -65.09 -41.39 95.03 Favored 'General case' 0 CA--C 1.463 -2.397 0 O-C-N 120.542 -1.349 . . . . 0.0 110.177 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -56.66 -51.69 67.79 Favored 'General case' 0 N--CA 1.402 -2.863 0 O-C-N 126.671 2.482 . . . . 0.0 109.029 -179.659 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -66.49 -36.35 82.52 Favored 'General case' 0 C--N 1.39 2.343 0 N-CA-C 118.774 2.879 . . . . 0.0 118.774 -173.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.07 -45.32 58.04 Favored 'General case' 0 C--O 1.187 -2.212 0 C-N-CA 128.218 2.607 . . . . 0.0 112.118 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -158.4 163.96 36.73 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.278 -166.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -108.9 119.38 39.39 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.519 -1.988 . . . . 0.0 114.28 169.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.68 ' HB3' ' OE2' ' A' ' 27' ' ' GLU . 15.0 mtt180 -167.97 169.35 11.38 Favored 'General case' 0 CA--C 1.473 -1.998 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -148.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -134.5 155.37 50.5 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 6' ' ' VAL . 13.4 tt -125.29 153.98 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 C-N-CA 126.134 1.774 . . . . 0.0 108.18 -167.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.621 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 84.5 m-85 -107.32 132.02 53.58 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 111.388 -2.642 . . . . 0.0 111.849 157.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.1 t80 -111.61 112.12 23.6 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.064 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . 51.1 t80 -88.57 98.16 11.5 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.092 1.357 . . . . 0.0 109.641 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.658 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -140.2 149.85 59.58 Favored Pre-proline 0 CA--C 1.487 -1.471 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.028 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.454 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.2 Cg_endo -69.78 156.16 64.03 Favored 'Trans proline' 0 C--O 1.194 -1.694 0 O-C-N 125.267 2.193 . . . . 0.0 112.569 -123.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.6 m -70.02 -39.62 75.69 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-O 124.434 2.064 . . . . 0.0 111.271 159.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.52 -45.26 72.71 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 130.758 3.623 . . . . 0.0 113.025 -156.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.42 -46.78 4.68 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.349 -2.205 . . . . 0.0 114.282 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 79.73 2.39 2.15 Favored 'General case' 0 C--O 1.192 -1.938 0 C-N-CA 130.511 3.524 . . . . 0.0 115.637 -162.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.42 -53.0 49.39 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 119.918 3.303 . . . . 0.0 119.918 -171.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 75.7 m-20 -63.02 -36.5 83.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 125.601 1.813 . . . . 0.0 109.676 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.402 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 55.6 ttm -65.71 -42.7 90.82 Favored 'General case' 0 N--CA 1.426 -1.639 0 O-C-N 123.684 0.615 . . . . 0.0 112.512 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.16 -43.44 98.26 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 119.381 -0.927 . . . . 0.0 111.208 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.96 -36.09 80.4 Favored 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.81 97.3 Favored 'General case' 0 N--CA 1.409 -2.493 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.41 HG23 HD21 ' A' ' 63' ' ' LEU . 84.0 t -55.49 -46.32 78.79 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.812 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -64.6 -47.35 78.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.115 1.509 . . . . 0.0 112.167 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -55.73 -37.36 68.33 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 121.855 2.116 . . . . 0.0 109.412 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 2.6 m-85 -73.24 -35.68 66.29 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 116.922 -1.911 . . . . 0.0 108.757 -158.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.11 -42.79 88.73 Favored 'General case' 0 C--O 1.187 -2.212 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.926 167.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.97 -25.99 64.05 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.253 -2.78 . . . . 0.0 114.459 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.572 ' HZ2' HD22 ' A' ' 21' ' ' LEU . 98.0 mttt -118.37 149.91 40.41 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.944 2.098 . . . . 0.0 114.027 177.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.01 -12.05 83.59 Favored Glycine 0 C--N 1.396 3.899 0 N-CA-C 117.767 1.867 . . . . 0.0 117.767 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -61.3 -43.27 99.15 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.702 1.239 . . . . 0.0 113.069 -155.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 11.1 t -81.08 148.52 29.62 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.522 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -93.6 -44.85 8.0 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 109.7 175.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.47 ' O ' HD23 ' A' ' 79' ' ' LEU . 93.3 m-85 -135.67 158.17 45.06 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 126.112 2.132 . . . . 0.0 112.594 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 54.8 tp -136.49 137.08 39.97 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.776 -1.203 . . . . 0.0 112.863 164.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.48 160.55 26.34 Favored 'General case' 0 C--N 1.4 2.798 0 C-N-CA 118.484 -1.286 . . . . 0.0 109.902 168.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HA ' HD21 ' A' ' 76' ' ' LEU . 98.6 mt-10 -63.42 151.83 39.93 Favored 'General case' 0 C--O 1.189 -2.13 0 O-C-N 120.46 -1.4 . . . . 0.0 113.953 -176.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.827 HG13 HG23 ' A' ' 68' ' ' VAL . 71.2 t -73.39 138.71 20.76 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.088 0 C-N-CA 115.415 -2.514 . . . . 0.0 109.203 150.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -84.48 60.47 6.06 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 116.505 -3.872 . . . . 0.0 112.148 156.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.827 HG23 HG13 ' A' ' 66' ' ' VAL . 32.6 m -97.57 0.48 10.51 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 CA-C-O 123.322 1.534 . . . . 0.0 111.289 125.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 60.0 p -60.63 -44.69 96.06 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.6 m -61.0 -41.65 96.93 Favored 'General case' 0 C--O 1.192 -1.96 0 O-C-N 120.404 -1.435 . . . . 0.0 109.558 -171.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -67.48 -40.98 85.29 Favored 'General case' 0 C--O 1.187 -2.208 0 O-C-N 126.972 2.67 . . . . 0.0 117.028 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -155.58 24.7 0.4 Allowed 'General case' 0 C--N 1.38 1.915 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 71.9 mmtt 57.22 39.42 28.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 116.615 -3.803 . . . . 0.0 118.087 150.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -121.47 -54.14 1.98 Allowed 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -162.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 58.0 m-85 -103.05 122.98 45.77 Favored 'General case' 0 C--O 1.264 1.853 0 O-C-N 120.893 -1.13 . . . . 0.0 112.593 -170.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 65' ' ' GLU . 92.4 mt -88.64 140.52 29.37 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 126.008 1.723 . . . . 0.0 112.261 160.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 42.2 t80 -101.57 107.42 18.68 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.534 ' HB3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -117.4 124.19 48.27 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.189 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.656 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -123.6 137.72 54.69 Favored 'General case' 0 CA--C 1.493 -1.247 0 O-C-N 117.664 -3.147 . . . . 0.0 108.807 -170.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 2.8 m80 -114.08 124.3 51.76 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -159.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 36.5 mm 42.92 48.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.656 ' HB ' HD11 ' A' ' 79' ' ' LEU . 9.2 tp . . . . . 1 C--O 1.125 -5.463 1 O-C-N 115.91 -4.244 . . . . 0.0 112.243 166.785 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' CD2' ' HE1' ' A' ' 38' ' ' PHE . 5.6 mp -135.85 152.41 51.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 122.324 2.329 . . . . 0.0 105.613 -166.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG2' ' OE1' ' A' ' 20' ' ' GLU . 79.5 t -131.82 125.11 54.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-O 122.53 1.157 . . . . 0.0 110.132 -175.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 38' ' ' PHE . 95.4 mt -97.88 149.29 22.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 119.054 -2.279 . . . . 0.0 108.536 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . . . -73.84 145.27 45.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.552 2.741 . . . . 0.0 114.737 167.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.43 -21.09 33.04 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 117.143 -1.823 . . . . 0.0 114.217 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -64.75 -40.85 95.99 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -164.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p . . . . . 0 C--O 1.203 -1.377 0 O-C-N 120.06 -1.65 . . . . 0.0 115.187 -176.386 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.1 -40.8 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 C-N-CA 129.867 3.267 . . . . 0.0 111.509 -172.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.72 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 46.0 tp10 -61.37 -45.44 94.38 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD23 ' HE3' ' A' ' 57' ' ' LYS . 96.2 mt -60.26 -50.63 72.89 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.372 -177.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.35 -40.25 95.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.258 -1.526 . . . . 0.0 114.43 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -33.27 71.71 Favored 'General case' 0 CA--C 1.468 -2.186 0 O-C-N 123.493 0.496 . . . . 0.0 110.946 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.618 HD12 ' HG3' ' A' ' 20' ' ' GLU . 4.5 mp -49.48 -60.29 2.98 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.16 0.505 . . . . 0.0 110.293 174.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' ' CE1' ' A' ' 59' ' ' HIS . 56.9 m-85 -63.71 -48.44 77.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.604 -172.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -73.04 -41.4 64.23 Favored 'General case' 0 N--CA 1.401 -2.879 0 O-C-N 125.789 1.931 . . . . 0.0 113.116 -169.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.02 -45.24 93.42 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 124.392 1.077 . . . . 0.0 111.949 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CE2' ' HB ' ' A' ' 81' ' ' ILE . 41.3 t80 -62.26 -47.87 82.41 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 128.761 2.824 . . . . 0.0 112.87 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.1 p -67.05 -44.4 80.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 121.453 -0.78 . . . . 0.0 112.619 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.52 -31.14 20.09 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 124.658 1.224 . . . . 0.0 112.234 -168.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.4 164.87 33.73 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 119.608 1.095 . . . . 0.0 113.609 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' ' CG2' ' A' ' 81' ' ' ILE . 97.4 mttt -107.29 116.08 31.31 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 117.657 -3.152 . . . . 0.0 115.776 163.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HG2' ' H ' ' A' ' 34' ' ' SER . 39.7 ttm180 -162.44 172.83 14.92 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 118.583 -2.573 . . . . 0.0 106.633 -142.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.718 ' HB2' HD22 ' A' ' 79' ' ' LEU . 90.5 p -149.5 154.8 39.34 Favored 'General case' 0 CA--C 1.483 -1.601 0 O-C-N 120.395 -1.44 . . . . 0.0 111.678 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.645 HD13 ' OE2' ' A' ' 20' ' ' GLU . 29.0 pt -136.09 168.13 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 O-C-N 125.674 1.858 . . . . 0.0 112.102 -169.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 29.5 m-85 -116.97 143.75 45.36 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 125.03 1.332 . . . . 0.0 108.413 168.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 5.4 t80 -114.57 118.51 33.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 118.862 -2.399 . . . . 0.0 104.623 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.58 ' HB2' HD21 ' A' ' 7' ' ' LEU . 87.6 m-85 -105.31 95.94 6.17 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . . . -133.55 146.31 59.98 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 129.279 3.032 . . . . 0.0 117.278 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 91.0 Cg_exo -67.01 153.32 78.28 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 115.833 -2.312 . . . . 0.0 115.838 -121.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 92.9 m -65.89 -42.51 90.18 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 123.573 1.654 . . . . 0.0 112.56 163.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -70.26 -41.08 73.94 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 129.028 2.931 . . . . 0.0 116.756 -167.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -104.09 -34.06 8.55 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 171.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 85.0 m-70 61.42 36.5 17.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 118.147 2.647 . . . . 0.0 118.147 -165.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -113.36 -53.46 2.7 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.134 -160.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 82.7 m-20 -60.2 -36.52 77.85 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.584 1.803 . . . . 0.0 106.64 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.539 ' C ' ' SD ' ' A' ' 47' ' ' MET . 12.3 tmm? -66.3 -44.4 83.6 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.68 -40.33 83.27 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 122.045 0.926 . . . . 0.0 110.45 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.8 mttt -64.34 -36.9 85.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.22 75.26 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.416 1.487 . . . . 0.0 112.532 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.27 -47.43 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -67.27 -46.25 74.24 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 19.0 m-30 -60.27 -40.14 89.31 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.575 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.76 ' HD2' ' CD1' ' A' ' 63' ' ' LEU . 6.8 m-30 -75.73 -36.27 59.98 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 100.66 -3.83 . . . . 0.0 100.66 -155.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -45.74 84.72 Favored 'General case' 0 C--O 1.191 -1.991 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.436 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.6 -52.8 63.92 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 114.709 -2.567 . . . . 0.0 109.715 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.635 ' HE3' HD23 ' A' ' 21' ' ' LEU . 73.2 mmtt -54.12 -49.69 68.58 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -170.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.5 -30.84 8.67 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 126.131 1.824 . . . . 0.0 117.39 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 63.3 m80 -71.85 -40.8 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 119.205 3.039 . . . . 0.0 119.205 -167.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.8 t -61.65 153.77 27.07 Favored 'General case' 0 CA--C 1.481 -1.705 0 O-C-N 119.185 -2.197 . . . . 0.0 106.164 168.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.47 -37.55 10.86 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.455 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.4 t80 -160.55 157.33 27.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 127.087 2.742 . . . . 0.0 116.816 -173.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.76 ' CD1' ' HD2' ' A' ' 54' ' ' PHE . 3.0 tt -140.08 140.65 36.14 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.495 -1.378 . . . . 0.0 113.192 168.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.586 ' N ' HD21 ' A' ' 63' ' ' LEU . 8.7 t0 -142.24 176.39 9.01 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.555 1.942 . . . . 0.0 108.192 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.28 167.62 14.65 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 121.176 0.512 . . . . 0.0 110.768 173.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 91.6 t -104.77 146.57 11.83 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 O-C-N 120.929 -1.107 . . . . 0.0 108.904 164.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -91.56 59.43 3.79 Favored 'General case' 0 C--O 1.2 -1.502 0 O-C-N 119.267 -2.146 . . . . 0.0 107.32 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.82 3.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 117.814 -3.054 . . . . 0.0 110.512 124.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.547 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 58.8 m -62.57 -39.43 93.67 Favored 'General case' 0 C--O 1.205 -1.24 0 C-N-CA 124.922 1.289 . . . . 0.0 110.577 177.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.7 m -58.67 -45.43 89.41 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-O 117.071 -1.442 . . . . 0.0 108.741 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.19 -46.86 69.52 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 126.584 1.954 . . . . 0.0 115.92 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -126.1 -8.83 6.52 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 118.633 0.652 . . . . 0.0 112.427 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 23.7 tptm -7.16 115.62 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.096 0 O-C-N 118.911 -2.368 . . . . 0.0 116.347 -147.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -131.1 7.3 4.64 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 127.233 2.213 . . . . 0.0 114.36 131.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -109.93 104.88 13.86 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.465 0.65 . . . . 0.0 109.736 -145.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 96.4 mt -110.5 142.01 42.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.743 0.817 . . . . 0.0 112.75 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.502 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 64.1 t80 -113.11 104.49 12.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 128.743 2.817 . . . . 0.0 106.032 -171.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.482 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 88.6 tt0 -118.03 138.51 52.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -175.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.718 HD22 ' HB2' ' A' ' 34' ' ' SER . 97.4 mt -122.96 128.12 49.8 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.678 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 94.5 m-70 -108.09 122.0 45.99 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 120.15 1.341 . . . . 0.0 110.665 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.524 ' CG2' ' HG2' ' A' ' 32' ' ' LYS . 19.9 tt 27.04 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -157.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.691 HD13 HD12 ' A' ' 79' ' ' LEU . 19.3 tt . . . . . 0 C--O 1.176 -2.798 1 N-CA-C 121.894 4.035 . . . . 0.0 121.894 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.1 mttt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -130.16 167.8 17.81 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 118.692 -1.203 . . . . 0.0 109.616 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 37' ' ' TYR . 73.1 t -126.59 112.21 28.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 127.874 3.234 . . . . 0.0 113.989 170.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 38' ' ' PHE . 57.3 mt -79.92 140.7 36.59 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.319 -0.863 . . . . 0.0 111.22 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 136.88 58.1 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 128.711 2.804 . . . . 0.0 111.415 167.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.52 -43.82 93.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.153 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -60.52 -43.09 97.5 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 131.268 3.827 . . . . 0.0 111.846 -155.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.294 -1.808 0 O-C-N 117.711 -3.118 . . . . 0.0 112.773 -171.406 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 6' ' ' VAL . 13.9 p -62.92 -36.9 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 C-N-CA 127.799 2.44 . . . . 0.0 112.31 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.532 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 52.5 tp10 -63.06 -44.38 95.99 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 116.958 -1.897 . . . . 0.0 110.12 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 21' ' ' LEU . 91.9 mt -62.83 -45.43 92.64 Favored 'General case' 0 N--CA 1.426 -1.625 0 C-N-CA 117.224 -1.79 . . . . 0.0 112.414 -171.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.49 -37.35 86.54 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.805 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.2 -36.36 83.94 Favored 'General case' 0 CA--C 1.479 -1.775 0 O-C-N 125.914 2.009 . . . . 0.0 110.03 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 50.7 mt -57.37 -56.5 21.08 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.52 0.6 . . . . 0.0 110.516 -176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 60.4 t80 -63.93 -45.73 87.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.82 -41.34 44.7 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 117.433 -1.707 . . . . 0.0 111.342 -166.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.267 93.9 mt-10 -56.97 -46.83 81.91 Favored 'General case' 0 CA--C 1.45 -2.882 0 C-N-CA 124.042 0.937 . . . . 0.0 111.248 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.1 t80 -56.43 -52.76 63.47 Favored 'General case' 0 N--CA 1.415 -2.208 0 O-C-N 126.684 2.49 . . . . 0.0 110.802 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.0 p -64.81 -47.89 76.38 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 114.674 -1.148 . . . . 0.0 113.175 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -75.51 -47.54 26.53 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -133.61 154.87 50.55 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -158.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HG2' HD11 ' A' ' 81' ' ' ILE . 98.9 mttt -103.2 124.18 48.13 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.24 -2.314 . . . . 0.0 112.973 163.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.686 ' HG2' ' H ' ' A' ' 34' ' ' SER . 67.7 ttt180 -167.2 176.21 6.92 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 123.056 2.662 . . . . 0.0 116.953 -141.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.686 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 95.0 p -158.86 146.66 17.86 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 117.182 -3.449 . . . . 0.0 110.643 -168.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.577 HG13 ' HB3' ' A' ' 78' ' ' GLU . 48.0 pt -135.54 165.12 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 124.091 1.9 . . . . 0.0 115.871 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.636 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 75.0 m-85 -106.35 138.87 41.75 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.212 1.805 . . . . 0.0 110.588 161.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.552 ' CE2' HG11 ' A' ' 6' ' ' VAL . 1.4 t80 -117.34 118.43 32.21 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.16 -1.588 . . . . 0.0 109.353 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.533 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.3 t80 -113.75 86.14 2.34 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 -145.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . . . -148.31 128.6 6.74 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 113.822 -1.536 . . . . 0.0 113.274 -146.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.85 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 98.3 Cg_endo -63.59 142.53 84.42 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 O-C-N 122.916 0.956 . . . . 0.0 111.749 -118.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.1 m -67.94 -40.74 83.22 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 122.216 1.008 . . . . 0.0 110.613 168.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.01 -39.76 72.19 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.931 3.692 . . . . 0.0 117.027 -170.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.97 -23.58 10.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 165.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.526 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 82.9 m-70 66.72 13.56 9.41 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 119.982 1.264 . . . . 0.0 110.759 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.1 tttt -85.72 -50.68 6.99 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 127.328 2.251 . . . . 0.0 111.769 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.85 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 70.6 m-20 -65.03 -35.7 82.02 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 125.948 2.03 . . . . 0.0 108.465 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 ttm -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 118.912 -2.367 . . . . 0.0 115.779 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 44' ' ' HIS . 82.0 mt -60.43 -39.45 87.5 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 123.02 1.391 . . . . 0.0 107.92 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 99.3 mttt -62.39 -40.47 96.57 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.321 -0.862 . . . . 0.0 111.237 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.37 85.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.529 1.131 . . . . 0.0 114.022 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.69 -43.03 82.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -43.16 92.19 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.86 -39.03 83.82 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.608 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 7.6 m-85 -69.8 -32.74 71.37 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.953 2.033 . . . . 0.0 107.158 -160.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.99 -36.07 62.01 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 112.416 -3.659 . . . . 0.0 116.537 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.21 -35.01 74.46 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 122.754 2.525 . . . . 0.0 109.826 172.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.469 ' HE3' HD23 ' A' ' 21' ' ' LEU . 72.2 mmtt -98.39 148.17 23.96 Favored 'General case' 0 C--O 1.184 -2.387 0 CA-C-O 112.795 -3.479 . . . . 0.0 112.761 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.11 4.69 74.79 Favored Glycine 0 C--O 1.206 -1.644 0 C-N-CA 128.699 3.047 . . . . 0.0 118.099 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.658 ' CE1' ' HD2' ' A' ' 25' ' ' TYR . 99.2 m-70 -97.96 15.04 25.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 121.519 2.659 . . . . 0.0 116.544 -154.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -99.1 -140.79 0.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.058 1.743 . . . . 0.0 107.358 -156.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' LEU . . . -139.19 -62.94 0.53 Allowed 'General case' 0 C--N 1.295 -1.798 1 N-CA-C 99.792 -4.151 . . . . 0.0 99.792 132.121 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -129.8 152.75 48.96 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -164.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.608 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 53.6 tp -122.9 137.25 55.0 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.744 1.618 . . . . 0.0 114.071 161.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -143.01 173.14 11.81 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 119.711 -1.868 . . . . 0.0 111.08 169.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -77.54 160.08 28.86 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 117.596 -3.19 . . . . 0.0 115.614 164.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.563 HG22 ' HB2' ' A' ' 75' ' ' PHE . 18.4 m -77.1 164.33 3.54 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 150.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.535 ' NH2' ' OG ' ' A' ' 69' ' ' SER . 11.9 mmp_? -97.92 8.45 44.72 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 164.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.0 m -76.64 1.11 2.11 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.733 0 CA-C-N 124.171 3.169 . . . . 0.0 107.784 151.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.535 ' OG ' ' NH2' ' A' ' 67' ' ' ARG . 88.3 p -64.18 -38.6 91.64 Favored 'General case' 0 C--O 1.207 -1.148 0 O-C-N 120.684 -1.26 . . . . 0.0 111.968 177.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -62.67 -37.87 88.1 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 117.868 -1.533 . . . . 0.0 107.532 -173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -81.23 -54.4 5.53 Favored 'General case' 0 C--O 1.173 -2.937 0 O-C-N 126.065 2.103 . . . . 0.0 111.747 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 99.8 mt-10 -123.62 -20.06 5.63 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 117.559 -3.213 . . . . 0.0 111.22 -164.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.526 ' HB3' ' HE1' ' A' ' 44' ' ' HIS . 98.6 mttt 73.09 17.28 4.13 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 161.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 -33.25 11.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.636 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 96.9 m-85 -111.01 123.46 50.23 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 119.559 1.072 . . . . 0.0 113.165 -171.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.505 ' HB3' HD13 ' A' ' 63' ' ' LEU . 96.7 mt -82.46 136.92 34.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.125 2.17 . . . . 0.0 109.556 152.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -100.93 104.36 15.55 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB3' HG13 ' A' ' 35' ' ' ILE . 89.1 tt0 -111.97 128.73 56.25 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.717 -173.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 34' ' ' SER . 91.4 mt -117.43 129.96 56.17 Favored 'General case' 0 CA--C 1.474 -1.947 0 O-C-N 119.879 -1.763 . . . . 0.0 113.161 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.57 ' HE2' ' CD ' ' A' ' 78' ' ' GLU . 31.0 m170 -109.94 125.51 52.92 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.496 HD11 ' HG2' ' A' ' 32' ' ' LYS . 94.3 mt 53.7 44.28 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.692 0.62 . . . . 0.0 112.072 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 79' ' ' LEU . 20.6 tt . . . . . 0 CA--C 1.572 1.821 1 CA-C-O 110.462 -4.59 . . . . 0.0 115.076 -169.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HB3' HG21 ' A' ' 35' ' ' ILE . 74.7 mmtt . . . . . 0 N--CA 1.443 -0.818 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.3 pp -127.68 166.45 18.09 Favored 'General case' 0 CA--C 1.474 -1.979 0 CA-C-O 114.375 -2.726 . . . . 0.0 109.098 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.0 t -122.53 124.03 69.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 128.339 3.524 . . . . 0.0 111.257 169.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 38' ' ' PHE . 90.8 mt -96.92 143.2 28.02 Favored 'General case' 0 C--O 1.191 -1.991 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 -174.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.92 139.24 58.06 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.253 3.021 . . . . 0.0 116.446 161.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.41 -44.27 95.13 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 170.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -64.41 -44.25 91.83 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.186 -164.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m . . . . . 0 C--N 1.345 0.407 0 C-N-CA 116.268 -2.173 . . . . 0.0 112.685 179.134 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.05 -37.08 78.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 127.142 2.177 . . . . 0.0 114.927 -148.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 14.8 pt-20 -57.07 -45.12 83.53 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.267 -0.878 . . . . 0.0 112.032 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.8 mt -66.11 -47.13 75.17 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' CG ' ' CE1' ' A' ' 26' ' ' HIS . 87.1 tt0 -65.33 -38.73 91.03 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 126.185 1.794 . . . . 0.0 114.799 174.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -67.58 -36.7 81.4 Favored 'General case' 0 CA--C 1.491 -1.327 0 O-C-N 124.43 1.081 . . . . 0.0 109.802 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 60' ' ' THR . 77.0 mt -55.83 -57.01 13.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.999 0.818 . . . . 0.0 110.194 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.7 -46.93 88.48 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.431 ' CE1' ' CG ' ' A' ' 22' ' ' GLU . 66.8 m170 -69.78 -46.76 65.04 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -172.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -60.8 -45.69 93.41 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 113.451 -1.704 . . . . 0.0 107.733 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.16 -40.08 86.6 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 116.79 -1.964 . . . . 0.0 111.37 -174.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.3 p -64.14 -42.56 96.75 Favored 'General case' 0 N--CA 1.434 -1.246 0 O-C-N 120.41 -1.431 . . . . 0.0 113.853 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.0 -39.98 19.0 Favored 'General case' 0 N--CA 1.418 -2.038 0 O-C-N 126.713 2.508 . . . . 0.0 113.576 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -141.64 160.82 39.37 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.817 1.247 . . . . 0.0 113.813 -167.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -115.59 113.57 23.76 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 118.26 -2.775 . . . . 0.0 118.464 163.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.663 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 3.5 mmp_? -160.45 177.55 10.45 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 119.702 -1.873 . . . . 0.0 107.495 -135.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.818 ' HB2' HD23 ' A' ' 79' ' ' LEU . 88.5 p -158.43 158.94 35.13 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 119.482 -2.012 . . . . 0.0 108.848 -174.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.814 ' CD1' ' HE1' ' A' ' 37' ' ' TYR . 38.6 pt -140.69 169.9 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-O 123.515 1.626 . . . . 0.0 110.297 -165.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' HB3' ' HD1' ' A' ' 75' ' ' PHE . 31.2 m-85 -117.34 133.53 55.87 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 127.208 2.203 . . . . 0.0 105.813 173.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.814 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 4.9 m-85 -102.4 131.23 49.19 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 118.259 -1.376 . . . . 0.0 108.133 166.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' HB3' HD21 ' A' ' 7' ' ' LEU . 56.3 t80 -109.08 101.87 10.9 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 47' ' ' MET . . . -141.21 152.29 64.07 Favored Pre-proline 0 CA--C 1.484 -1.593 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.1 Cg_endo -63.54 145.6 92.03 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 O-C-N 124.536 1.808 . . . . 0.0 113.344 -128.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 m -68.03 -44.1 77.25 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 116.589 -2.044 . . . . 0.0 111.39 157.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.85 -43.75 71.27 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -164.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.53 -36.71 10.68 Favored 'General case' 0 C--O 1.2 -1.507 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.717 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 80.5 m-70 57.73 39.57 27.11 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 127.301 2.24 . . . . 0.0 109.524 -168.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.309 85.2 tttt -94.52 -55.33 3.19 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 118.702 2.853 . . . . 0.0 118.702 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.581 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 94.3 m-20 -61.83 -35.33 77.93 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.322 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 57.2 ttm -65.12 -41.46 94.85 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.68 -42.61 83.98 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.397 1.57 . . . . 0.0 109.646 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.7 mttt -63.55 -38.41 91.01 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.722 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.0 81.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 126.069 2.106 . . . . 0.0 113.676 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.91 -45.44 87.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 125.918 1.687 . . . . 0.0 109.3 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.92 -43.75 91.78 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 125.344 1.458 . . . . 0.0 113.606 173.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 20.9 m-30 -62.84 -37.37 86.55 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 118.377 -0.82 . . . . 0.0 111.214 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.689 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 16.8 m-85 -69.0 -40.07 78.96 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -165.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.62 -38.17 77.11 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.871 1.668 . . . . 0.0 114.603 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.53 -38.83 78.59 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.005 0.815 . . . . 0.0 109.628 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.703 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -116.28 142.17 47.19 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 5.1 77.85 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 125.696 1.617 . . . . 0.0 116.217 -157.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.423 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 69.4 m80 -104.28 22.48 14.74 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 114.799 -2.524 . . . . 0.0 112.829 -136.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.53 HG22 HD21 ' A' ' 24' ' ' LEU . 70.8 p -119.91 -136.49 0.33 Allowed 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 127.567 2.347 . . . . 0.0 108.131 -150.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.57 -59.36 0.33 Allowed 'General case' 0 C--N 1.292 -1.926 0 O-C-N 116.454 -3.903 . . . . 0.0 100.918 141.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -146.0 151.82 38.38 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 127.827 3.204 . . . . 0.0 116.237 -169.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.689 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 53.7 tp -126.18 130.17 50.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.848 -1.782 . . . . 0.0 111.369 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -136.76 167.67 21.0 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 122.471 1.129 . . . . 0.0 113.748 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.69 166.54 17.13 Favored 'General case' 0 N--CA 1.438 -1.028 0 O-C-N 118.529 -2.607 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.716 ' O ' ' HB2' ' A' ' 69' ' ' SER . 88.2 t -87.01 145.55 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.959 0 C-N-CA 116.017 -2.273 . . . . 0.0 112.53 143.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 37.7 mmt180 -85.33 63.81 8.3 Favored 'General case' 0 C--O 1.198 -1.638 2 O-C-N 113.918 -5.489 . . . . 0.0 115.322 154.418 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.576 ' H ' HG11 ' A' ' 66' ' ' VAL . 26.8 m -109.64 11.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 117.529 -3.232 . . . . 0.0 108.5 138.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.716 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 70.1 m -121.4 13.57 11.05 Favored 'General case' 0 C--O 1.2 -1.509 0 C-N-CA 128.412 2.685 . . . . 0.0 109.996 -152.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -67.36 -60.01 2.94 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 123.09 1.424 . . . . 0.0 109.813 127.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.56 -42.24 87.41 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 127.23 2.212 . . . . 0.0 115.459 -157.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -130.57 -19.73 3.0 Favored 'General case' 0 C--O 1.211 -0.957 0 O-C-N 125.001 1.438 . . . . 0.0 112.518 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' HB3' ' HE1' ' A' ' 44' ' ' HIS . 98.5 mttt 56.51 41.06 29.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 170.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.45 -34.51 7.79 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.589 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 58.9 m-85 -114.13 133.22 55.71 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 118.617 -1.233 . . . . 0.0 111.009 -161.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 37' ' ' TYR . 91.5 mt -106.84 134.28 50.23 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 127.058 2.143 . . . . 0.0 109.897 168.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.697 ' CE2' HD21 ' A' ' 79' ' ' LEU . 67.4 t80 -107.14 109.99 21.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 127.114 2.166 . . . . 0.0 109.339 -167.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 57.8 tt0 -133.76 118.9 18.6 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 109.965 -154.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.818 HD23 ' HB2' ' A' ' 34' ' ' SER . 64.3 mt -119.17 131.53 55.87 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -162.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.449 ' HE2' HD12 ' A' ' 35' ' ' ILE . 12.6 m170 -110.97 122.16 47.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.5 mt 61.62 -41.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 125.037 1.335 . . . . 0.0 107.772 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 82' ' ' ILE . 82.8 mt . . . . . 0 CA--C 1.578 2.044 1 O-C-N 112.102 -6.623 . . . . 0.0 110.372 -158.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.495 ' HG ' ' HD3' ' A' ' 4' ' ' LYS . 96.6 p . . . . . 0 C--O 1.163 -3.475 1 CA-C-O 129.103 4.287 . . . . 0.0 112.014 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -65.88 -43.24 88.91 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 116.605 -3.809 . . . . 0.0 119.331 -168.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.563 ' SD ' ' O ' ' A' ' 3' ' ' MET . 8.6 tmm? -158.61 59.34 0.44 Allowed 'General case' 0 C--O 1.156 -3.827 0 N-CA-C 102.157 -3.275 . . . . 0.0 102.157 147.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HE3' ' HD2' ' A' ' 33' ' ' ARG . 74.1 mmtt 53.87 42.81 31.61 Favored 'General case' 0 N--CA 1.444 -0.759 1 O-C-N 114.059 -5.4 . . . . 0.0 119.037 170.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 5' ' ' LEU . 1.7 pp -137.01 155.24 49.95 Favored 'General case' 0 CA--C 1.468 -2.199 0 C-N-CA 115.427 -2.509 . . . . 0.0 113.357 -170.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.31 133.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 127.292 2.87 . . . . 0.0 103.588 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.86 HD21 ' HB2' ' A' ' 38' ' ' PHE . 95.9 mt -115.39 138.92 50.48 Favored 'General case' 0 C--O 1.16 -3.641 0 CA-C-N 122.105 2.229 . . . . 0.0 107.461 173.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . . . -64.47 143.41 57.93 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 127.5 2.32 . . . . 0.0 112.868 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.884 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -81.03 -20.22 42.19 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 177.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -62.02 -40.26 95.08 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 121.139 1.791 . . . . 0.0 110.414 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.418 ' HG1' ' HG3' ' A' ' 12' ' ' ARG . 73.9 p -97.68 -43.43 7.19 Favored 'General case' 0 CA--C 1.49 -1.351 0 O-C-N 118.384 -2.698 . . . . 0.0 105.884 -167.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HG3' ' HG1' ' A' ' 11' ' ' THR . 81.8 mtt85 -91.16 -49.02 6.62 Favored 'General case' 0 C--N 1.381 1.962 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 88.5 tttt 48.82 57.07 6.77 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 125.623 1.569 . . . . 0.0 110.383 177.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.2 p -95.11 -47.21 6.47 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 115.157 -2.617 . . . . 0.0 117.893 166.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 39.9 p-10 -146.34 1.6 0.84 Allowed 'General case' 0 C--N 1.283 -2.313 0 C-N-CA 129.009 2.923 . . . . 0.0 113.953 162.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.63 83.91 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 118.362 -2.711 . . . . 0.0 108.491 -139.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 88.2 tttt -55.57 143.96 28.05 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 129.816 3.246 . . . . 0.0 113.466 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m 65.9 7.75 4.86 Favored 'General case' 0 N--CA 1.487 1.382 1 O-C-N 129.487 4.242 . . . . 0.0 114.278 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.79 -34.4 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 O-C-N 126.562 2.414 . . . . 0.0 114.558 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' HG2' ' N ' ' A' ' 21' ' ' LEU . 15.1 pm0 -62.52 -38.53 90.31 Favored 'General case' 0 C--O 1.199 -1.559 0 O-C-N 119.239 -2.163 . . . . 0.0 106.218 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 89.6 mt -66.61 -44.27 82.56 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 118.36 -2.713 . . . . 0.0 107.291 -164.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.59 -42.19 98.3 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.91 -36.94 82.81 Favored 'General case' 0 CA--C 1.467 -2.24 0 C-N-CA 115.889 -2.324 . . . . 0.0 107.842 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 10.9 mp -55.58 -63.66 1.1 Allowed 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 123.559 0.744 . . . . 0.0 112.049 -175.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -59.6 -46.34 89.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -78.48 -39.82 37.21 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 125.619 1.824 . . . . 0.0 114.218 -165.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.53 -42.93 97.5 Favored 'General case' 0 CA--C 1.467 -2.224 0 C-N-CA 126.888 2.075 . . . . 0.0 108.709 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.651 ' CG ' HD12 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.93 -57.07 13.15 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 127.197 2.199 . . . . 0.0 112.287 178.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -61.4 -46.44 90.14 Favored 'General case' 0 CA--C 1.469 -2.144 0 O-C-N 125.542 1.776 . . . . 0.0 108.883 -172.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -71.57 -45.76 61.34 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 127.286 2.866 . . . . 0.0 115.422 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -151.86 152.59 32.8 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 119.691 -1.88 . . . . 0.0 114.811 -166.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' HG2' HG23 ' A' ' 81' ' ' ILE . 98.3 mttt -93.73 107.52 19.39 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 117.188 -3.445 . . . . 0.0 113.591 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.85 ' HG3' ' H ' ' A' ' 34' ' ' SER . 24.7 tpp180 -170.07 -178.66 2.92 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 117.591 -3.193 . . . . 0.0 105.974 -135.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.85 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t -166.63 160.99 15.55 Favored 'General case' 0 C--N 1.266 -3.046 1 O-C-N 115.712 -4.367 . . . . 0.0 100.959 -155.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 80' ' ' HIS . 47.4 pt -146.68 171.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 39.3 m-85 -124.1 118.7 27.5 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HD1' ' N ' ' A' ' 38' ' ' PHE . 1.1 t80 -88.55 114.88 25.62 Favored 'General case' 0 CA--C 1.611 3.322 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 165.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.86 ' HB2' HD21 ' A' ' 7' ' ' LEU . 90.7 m-85 -91.99 97.86 11.21 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 129.181 2.993 . . . . 0.0 111.044 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . . . -139.82 146.12 45.78 Favored Pre-proline 0 C--N 1.296 -1.724 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.243 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.621 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -69.7 151.31 69.39 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 115.174 -2.75 . . . . 0.0 111.724 -121.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.451 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 99.7 m -64.08 -44.87 91.07 Favored 'General case' 0 CA--C 1.466 -2.271 0 O-C-N 126.037 2.085 . . . . 0.0 114.258 163.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -67.65 -45.31 75.67 Favored 'General case' 0 C--O 1.157 -3.8 1 C-N-CA 132.814 4.446 . . . . 0.0 116.183 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.41 -35.59 9.86 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 116.742 -3.724 . . . . 0.0 115.418 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 41' ' ' THR . 83.0 m-70 65.63 24.7 11.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.151 2.98 . . . . 0.0 110.48 -167.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.19 -51.35 4.86 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -171.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 88.2 m-20 -61.04 -37.93 84.36 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 125.213 1.571 . . . . 0.0 106.799 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.534 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.5 ttp -64.46 -44.96 89.41 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.57 -36.57 84.22 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.64 -34.21 77.32 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.67 -44.17 90.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.19 -44.81 96.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.8 -41.93 99.49 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.202 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.81 -43.28 96.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 117.888 0.313 . . . . 0.0 111.343 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.733 ' CE2' HD13 ' A' ' 63' ' ' LEU . 14.2 m-85 -65.62 -37.24 86.01 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 125.474 1.733 . . . . 0.0 110.752 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.55 -45.37 94.14 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.711 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.06 -38.15 85.17 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 116.299 -1.81 . . . . 0.0 113.088 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' HD3' ' HE2' ' A' ' 59' ' ' HIS . 99.4 mttt -112.93 140.6 47.6 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 125.247 1.592 . . . . 0.0 114.647 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.36 13.94 65.11 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 127.414 2.435 . . . . 0.0 116.111 -162.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' HE2' ' HD3' ' A' ' 57' ' ' LYS . 91.7 m-70 -61.37 -25.09 66.94 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 129.18 2.992 . . . . 0.0 106.446 -169.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.7 p -77.87 -149.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 104.247 -2.501 . . . . 0.0 104.247 -135.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.96 -44.61 1.77 Allowed 'General case' 0 C--N 1.285 -2.203 1 O-C-N 113.929 -5.482 . . . . 0.0 110.239 119.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' HD2' HG23 ' A' ' 82' ' ' ILE . 83.2 m-85 -145.75 156.19 43.45 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.883 1.365 . . . . 0.0 113.033 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.733 HD13 ' CE2' ' A' ' 54' ' ' PHE . 4.6 tt -133.18 137.94 46.38 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 156.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' N ' HD22 ' A' ' 63' ' ' LEU . 49.5 t0 -150.58 162.14 41.22 Favored 'General case' 0 C--N 1.372 1.567 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.0 166.12 4.92 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 117.69 -3.131 . . . . 0.0 112.353 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.518 HG11 ' H ' ' A' ' 68' ' ' VAL . 99.4 t -97.46 131.36 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 117.964 -1.494 . . . . 0.0 110.874 145.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.469 ' HA ' ' H ' ' A' ' 69' ' ' SER . 39.6 mmt180 -87.45 57.07 4.22 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.518 ' H ' HG11 ' A' ' 66' ' ' VAL . 34.1 m -97.36 13.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 C-N-CA 127.931 2.493 . . . . 0.0 107.552 131.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 95.0 p -62.34 -46.19 89.81 Favored 'General case' 0 CA--C 1.479 -1.755 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -58.83 -41.64 87.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.625 1.17 . . . . 0.0 108.435 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.26 -42.03 62.98 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 127.073 2.149 . . . . 0.0 116.772 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -119.13 -41.82 2.72 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -171.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.8 mttt 50.64 31.09 5.4 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 127.984 2.514 . . . . 0.0 114.972 -166.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 75' ' ' PHE . 32.5 p-10 -91.52 -2.42 57.19 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 171.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 1.2 t80 -134.61 108.39 8.03 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 122.522 2.419 . . . . 0.0 108.246 -134.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.534 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 96.4 mt -109.88 127.65 54.85 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.082 -1.636 . . . . 0.0 111.676 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -101.5 119.71 39.19 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 119.943 -1.723 . . . . 0.0 106.384 -171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' OE1' ' C ' ' A' ' 78' ' ' GLU . 6.5 tm-20 -133.41 123.4 25.25 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.095 -1.628 . . . . 0.0 107.646 -159.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 3.6 mp -117.09 133.1 56.42 Favored 'General case' 0 CA--C 1.483 -1.604 0 CA-C-O 116.822 -1.561 . . . . 0.0 110.461 -168.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 35' ' ' ILE . 98.5 m-70 -113.37 130.25 56.33 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -169.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.651 HD12 ' CG ' ' A' ' 28' ' ' PHE . 71.1 mt 41.64 48.5 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.165 0 C-N-CA 115.347 -2.541 . . . . 0.0 116.753 -170.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 62' ' ' TYR . 11.2 tp . . . . . 0 C--O 1.167 -3.274 0 O-C-N 118.035 -2.916 . . . . 0.0 113.302 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.547 ' HB2' ' ND1' ' A' ' 2' ' ' HIS . 80.4 p . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.547 ' ND1' ' HB2' ' A' ' 1' ' ' SER . 46.1 m80 64.65 36.82 8.09 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 163.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.428 ' HE2' HD12 ' A' ' 5' ' ' LEU . 97.0 mtp -62.43 -42.71 99.65 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 130.005 3.322 . . . . 0.0 116.066 154.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.581 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 94.8 mttt 58.6 25.94 13.83 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 117.868 -1.533 . . . . 0.0 113.52 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 36' ' ' PHE . 2.7 pp -145.94 154.43 41.91 Favored 'General case' 0 N--CA 1.405 -2.692 0 C-N-CA 117.007 -1.877 . . . . 0.0 112.554 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.632 HG21 HG12 ' A' ' 19' ' ' VAL . 53.3 t -125.23 104.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.617 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.535 HD22 ' HD2' ' A' ' 12' ' ' ARG . 88.8 mt -71.59 142.39 50.0 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 124.212 1.958 . . . . 0.0 112.622 164.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . . . -60.82 140.81 57.52 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.49 153.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . 87.4 tttt -56.8 -48.67 77.43 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 159.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.636 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 98.4 m-20 -63.75 -42.54 97.84 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.23 -0.89 . . . . 0.0 112.896 -152.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 40' ' ' PRO . 34.8 p -83.13 -35.59 25.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 120.32 1.418 . . . . 0.0 113.806 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HD2' HD22 ' A' ' 7' ' ' LEU . 74.3 mtt85 -107.53 -20.74 13.15 Favored 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -166.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' HE3' ' O ' ' A' ' 10' ' ' ASN . 98.6 mttt 54.47 40.39 31.77 Favored 'General case' 0 C--O 1.216 -0.679 1 O-C-N 116.041 -4.162 . . . . 0.0 117.601 156.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.0 p -103.22 -67.41 0.88 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 117.16 -1.816 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -142.95 2.31 1.33 Allowed 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 129.038 2.935 . . . . 0.0 113.06 163.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . . . -70.12 -13.8 62.36 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 118.999 -2.313 . . . . 0.0 114.675 -142.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 88.2 tttt -58.04 146.14 33.89 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.358 3.463 . . . . 0.0 115.905 -170.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 m 65.75 3.16 2.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 127.322 2.249 . . . . 0.0 112.648 171.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.632 HG12 HG21 ' A' ' 6' ' ' VAL . 9.5 p -64.55 -35.79 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 C-N-CA 129.007 2.923 . . . . 0.0 109.16 -172.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -46.41 85.01 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD21 ' HD2' ' A' ' 57' ' ' LYS . 93.0 mt -62.25 -46.97 86.46 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.22 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.89 -40.46 97.61 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' OD2' HG23 ' A' ' 19' ' ' VAL . 99.2 m-20 -68.11 -33.02 73.74 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.605 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 83.3 mt -58.03 -51.9 67.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 119.927 1.24 . . . . 0.0 109.029 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -60.64 -44.77 95.99 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.934 0.873 . . . . 0.0 110.104 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -85.48 -36.41 20.58 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 120.003 -1.686 . . . . 0.0 112.928 -169.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' OE2' ' HD2' ' A' ' 33' ' ' ARG . 48.3 mt-10 -60.29 -42.99 96.63 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.2 t80 -61.17 -48.81 79.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 117.797 0.271 . . . . 0.0 110.728 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -66.07 -41.34 90.9 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.62 -57.38 3.48 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.76 1.266 . . . . 0.0 108.329 -167.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -136.09 156.69 48.34 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 127.008 2.123 . . . . 0.0 114.742 -161.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HE2' HD12 ' A' ' 81' ' ' ILE . 98.4 mttt -108.99 123.74 49.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 116.71 -3.744 . . . . 0.0 113.593 169.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.593 ' HG2' ' H ' ' A' ' 34' ' ' SER . 32.0 ttm180 -166.18 172.57 11.09 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 119.884 -1.76 . . . . 0.0 110.263 -140.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.632 ' HB2' HD23 ' A' ' 79' ' ' LEU . 86.6 p -133.22 159.01 41.43 Favored 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 118.574 -2.579 . . . . 0.0 108.445 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 78' ' ' GLU . 16.8 tt -123.83 147.68 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.968 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.612 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -101.2 124.01 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 129.0 2.92 . . . . 0.0 112.301 160.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.649 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 77.4 t80 -119.17 118.38 31.19 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.155 -1.591 . . . . 0.0 112.282 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 30.3 m-85 -112.48 85.0 2.07 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 127.693 2.397 . . . . 0.0 108.59 -161.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -132.88 140.39 37.5 Favored Pre-proline 0 CA--C 1.492 -1.262 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.06 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.636 ' HG2' ' HB2' ' A' ' 10' ' ' ASN . 99.8 Cg_exo -60.38 143.96 99.5 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 N-CA-C 115.847 1.441 . . . . 0.0 115.847 -129.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.5 m -64.53 -38.68 91.86 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 123.132 1.444 . . . . 0.0 110.435 166.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -68.47 -40.19 81.11 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.201 1.4 . . . . 0.0 113.006 -167.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.53 -32.1 7.02 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 63.09 24.89 14.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.497 2.719 . . . . 0.0 114.194 -170.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -92.0 -56.55 3.03 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 124.58 1.152 . . . . 0.0 113.84 -163.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 80.5 m-20 -62.2 -35.9 80.28 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.633 174.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.464 ' HA ' ' HE2' ' A' ' 37' ' ' TYR . 63.7 ttp -64.53 -42.93 95.43 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.54 -42.12 91.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.387 0.675 . . . . 0.0 110.549 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.95 -39.74 90.66 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -59.49 -39.91 85.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.826 1.25 . . . . 0.0 112.343 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.68 -44.25 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 121.356 -0.84 . . . . 0.0 111.398 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -63.59 -42.74 98.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -57.53 -40.31 78.51 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 119.043 0.838 . . . . 0.0 112.466 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.63 ' HE1' HG22 ' A' ' 60' ' ' THR . 44.9 t80 -67.88 -42.76 80.74 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 -167.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.61 -44.26 97.32 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.206 -1.816 . . . . 0.0 111.154 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -57.61 -46.36 84.17 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 115.734 -2.079 . . . . 0.0 110.632 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' HD2' HD21 ' A' ' 21' ' ' LEU . 98.8 mttt -117.86 142.34 47.42 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 127.939 2.496 . . . . 0.0 115.802 -166.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.51 31.89 7.05 Favored Glycine 0 C--O 1.204 -1.73 0 C-N-CA 129.133 3.254 . . . . 0.0 118.97 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.1 m-70 -96.99 -39.76 9.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.608 2.704 . . . . 0.0 117.014 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.63 HG22 ' HE1' ' A' ' 54' ' ' PHE . 82.7 m -63.1 153.19 34.96 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 126.103 2.859 . . . . 0.0 112.667 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.531 ' N ' HG21 ' A' ' 60' ' ' THR . . . -76.72 -42.2 42.25 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 117.388 -3.32 . . . . 0.0 114.062 166.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.589 ' H ' HG21 ' A' ' 60' ' ' THR . 62.9 t80 -157.23 154.41 29.14 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -177.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 62.5 tp -123.09 125.31 44.95 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.573 -0.705 . . . . 0.0 109.579 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 52.4 t0 -142.03 155.94 45.42 Favored 'General case' 0 C--N 1.365 1.251 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 160.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.51 153.2 23.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 69' ' ' SER . 19.8 m -71.65 159.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 124.611 2.148 . . . . 0.0 107.913 158.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -101.51 8.49 41.95 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.885 2.474 . . . . 0.0 112.905 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -77.97 -0.47 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.205 147.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.551 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 56.8 p -62.41 -38.29 89.11 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 -171.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 m -62.08 -40.11 94.71 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.742 0.782 . . . . 0.0 111.548 -169.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.84 -56.05 18.27 Favored 'General case' 0 N--CA 1.414 -2.229 0 CA-C-N 112.559 -2.109 . . . . 0.0 115.987 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -125.75 -21.9 4.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 121.417 -0.802 . . . . 0.0 112.715 -153.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 70.4 mmtt 55.02 43.16 30.24 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 175.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.2 -46.83 4.5 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.194 -1.402 . . . . 0.0 114.208 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.0 m-85 -109.42 128.6 55.27 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 122.317 1.056 . . . . 0.0 109.316 -152.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 92.2 mt -96.57 141.62 29.61 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 119.952 -1.718 . . . . 0.0 110.321 161.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -112.03 101.76 10.03 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.633 ' HB3' HG22 ' A' ' 35' ' ' ILE . 86.9 tt0 -114.98 140.99 48.59 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 34' ' ' SER . 96.4 mt -124.38 122.23 37.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 42.7 m170 -109.47 124.76 51.59 Favored 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 119.319 -2.113 . . . . 0.0 110.123 -157.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.585 HD12 ' HE2' ' A' ' 32' ' ' LYS . 93.9 mt 45.65 -45.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.617 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.742 -155.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 33' ' ' ARG . 41.4 pt . . . . . 0 C--O 1.209 -1.048 0 CA-C-N 125.102 3.592 . . . . 0.0 112.734 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.438 ' CD2' HH11 ' A' ' 33' ' ' ARG . 74.5 t60 -112.47 118.96 36.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.693 1.235 . . . . 0.0 112.041 171.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.2 mtp -122.0 33.49 5.46 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.67 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.516 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 95.5 mttt 57.84 22.08 8.21 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.54 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 46.9 mt -124.33 149.58 46.42 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 20' ' ' GLU . 83.6 t -123.42 144.24 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 125.683 1.864 . . . . 0.0 107.394 162.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 38' ' ' PHE . 82.5 mt -108.98 148.41 30.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.974 1.369 . . . . 0.0 109.906 174.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 158.47 21.7 Favored 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 124.782 1.233 . . . . 0.0 111.732 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.814 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -86.17 -26.15 25.3 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 118.852 -2.405 . . . . 0.0 113.464 166.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 58.3 m-20 -64.81 -38.86 92.41 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 123.379 2.809 . . . . 0.0 111.893 -154.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -103.57 -29.51 11.08 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.392 -168.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -101.86 -41.87 6.35 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 120.275 1.398 . . . . 0.0 112.953 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 90.3 mttt 48.06 47.92 18.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.617 1.567 . . . . 0.0 112.645 178.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.2 p -82.44 -56.25 4.0 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 121.319 1.872 . . . . 0.0 113.443 173.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 -152.18 6.29 0.43 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.95 1.7 . . . . 0.0 113.273 155.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.26 67.05 9.47 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 124.69 2.185 . . . . 0.0 108.388 -160.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.64 ' HG3' ' HD2' ' A' ' 9' ' ' LYS . 87.3 tttt -128.24 137.6 52.08 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 125.824 1.65 . . . . 0.0 106.689 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 m 64.55 13.89 8.55 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.97 -40.85 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 125.936 1.694 . . . . 0.0 112.021 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.592 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 27.5 tp10 -61.3 -43.41 98.92 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' HA ' HD11 ' A' ' 24' ' ' LEU . 77.2 mt -56.76 -48.65 77.38 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.301 -1.499 . . . . 0.0 113.434 -172.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.72 -39.1 90.83 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -68.93 -31.84 71.02 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-N 120.553 1.524 . . . . 0.0 109.197 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.828 ' CD2' ' HE2' ' A' ' 80' ' ' HIS . 43.3 mt -53.18 -57.29 10.97 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 119.041 0.837 . . . . 0.0 109.196 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.87 -50.13 70.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.718 1.247 . . . . 0.0 111.14 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 39.3 t-80 -67.68 -46.76 71.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.512 -172.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.34 -40.75 98.15 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -65.93 -44.13 86.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.963 1.305 . . . . 0.0 112.19 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE1' ' CE1' ' A' ' 26' ' ' HIS . 84.1 tt0 -78.55 -46.35 19.68 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.166 0.587 . . . . 0.0 110.769 -175.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.68 165.49 27.26 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.627 1.203 . . . . 0.0 112.929 -170.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -114.78 104.3 11.82 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.693 -1.255 . . . . 0.0 113.929 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 35.6 ttm180 -157.21 161.3 39.26 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.711 -0.618 . . . . 0.0 112.352 -142.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 55.3 p -126.17 153.04 45.18 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HA ' HD11 ' A' ' 35' ' ' ILE . 37.2 mm -114.94 145.71 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 128.892 2.877 . . . . 0.0 110.31 -171.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.54 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 62.0 m-85 -108.02 127.93 54.2 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.625 160.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.567 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 71.2 t80 -110.04 112.73 24.91 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -169.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.7 t80 -101.96 105.61 16.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 122.26 1.029 . . . . 0.0 108.758 -172.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.8 141.59 14.78 Favored Pre-proline 0 N--CA 1.443 -0.823 0 O-C-N 120.394 -1.441 . . . . 0.0 113.721 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 62.9 Cg_exo -62.47 143.53 93.35 Favored 'Trans proline' 0 N--CA 1.442 -1.545 0 C-N-CA 118.015 -0.857 . . . . 0.0 112.819 -118.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.1 m -56.12 -41.77 75.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.546 2.117 . . . . 0.0 108.483 164.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.9 -41.08 75.19 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 112.273 -2.239 . . . . 0.0 111.852 -168.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.95 -26.42 6.01 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 119.032 -1.067 . . . . 0.0 112.21 -172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 55.71 32.17 18.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.152 1.381 . . . . 0.0 111.157 -170.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -97.11 -54.11 3.28 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 120.885 -1.135 . . . . 0.0 113.853 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 97.6 m-20 -59.3 -34.9 72.87 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.705 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.3 ttp -71.11 -44.63 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.759 1.223 . . . . 0.0 113.761 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.99 -41.23 97.81 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.66 -35.42 77.92 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -60.19 -41.99 94.11 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -54.35 -42.13 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-O 122.345 1.069 . . . . 0.0 109.442 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.31 -44.12 76.14 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 114.254 -1.339 . . . . 0.0 114.057 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -53.86 -38.84 65.12 Favored 'General case' 0 N--CA 1.428 -1.532 0 O-C-N 124.351 1.032 . . . . 0.0 110.362 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.613 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 12.8 m-85 -77.18 -35.56 55.75 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-O 122.842 1.306 . . . . 0.0 108.685 -158.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.97 -37.93 82.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 CA-C-O 114.131 -2.842 . . . . 0.0 112.076 168.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.27 -27.1 66.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 122.051 2.205 . . . . 0.0 115.158 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -114.53 143.43 44.99 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.899 -1.126 . . . . 0.0 113.921 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.95 -31.2 80.14 Favored Glycine 0 CA--C 1.552 2.387 0 N-CA-C 119.118 2.407 . . . . 0.0 119.118 -171.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -64.99 -42.42 94.53 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 120.879 2.34 . . . . 0.0 116.953 -147.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.53 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 9.9 t -57.1 146.15 28.58 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.469 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.25 -59.05 2.4 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 169.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 97.4 m-85 -131.65 158.29 41.46 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.035 -172.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 48.6 tp -134.63 128.95 34.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 164.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -140.69 162.42 35.45 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.982 1.313 . . . . 0.0 113.177 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -93.57 144.33 25.48 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 118.335 -2.728 . . . . 0.0 109.63 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.522 HG11 HG23 ' A' ' 68' ' ' VAL . 60.7 t -84.76 138.93 18.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 120.595 -1.316 . . . . 0.0 110.181 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 26.1 mmm180 -103.57 25.72 9.36 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 120.321 -1.487 . . . . 0.0 114.241 -174.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 HG11 ' A' ' 66' ' ' VAL . 20.2 m -82.96 22.55 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.519 1.628 . . . . 0.0 109.855 139.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.4 ' HG ' ' HA ' ' A' ' 67' ' ' ARG . 19.7 p -62.16 -31.23 71.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.889 -1.757 . . . . 0.0 112.724 171.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -60.69 -41.05 94.36 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -77.17 -35.1 56.17 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 114.262 -2.78 . . . . 0.0 118.386 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -131.52 -42.37 1.05 Allowed 'General case' 0 N--CA 1.481 1.107 0 O-C-N 126.446 2.341 . . . . 0.0 113.806 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.0 tttt 49.92 38.18 15.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.189 1.795 . . . . 0.0 111.651 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -123.83 5.04 8.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.682 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -108.64 124.09 49.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.858 1.208 . . . . 0.0 113.617 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 69.6 mt -88.33 147.26 24.85 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.618 152.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 56.0 t80 -105.45 110.57 22.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.482 1.913 . . . . 0.0 105.855 162.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.53 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 74.1 tt0 -114.82 148.32 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD2' ' HB2' ' A' ' 62' ' ' TYR . 1.2 pt? -134.88 136.53 42.46 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.384 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.828 ' HE2' ' CD2' ' A' ' 24' ' ' LEU . 75.4 m80 -108.16 122.87 47.8 Favored 'General case' 0 CA--C 1.495 -1.154 0 O-C-N 124.5 1.125 . . . . 0.0 109.201 -167.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 81' ' ' ILE . 20.1 tt 20.21 82.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 126.131 2.144 . . . . 0.0 115.088 -156.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 tt . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 124.862 1.265 . . . . 0.0 114.228 165.616 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 CA--C 1.472 -2.05 0 CA-C-O 112.701 -3.524 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -125.06 134.68 52.43 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 126.549 2.406 . . . . 0.0 116.4 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -108.85 -45.88 3.73 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 -172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HA ' HH22 ' A' ' 33' ' ' ARG . 99.4 mttt -125.73 16.37 8.09 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 157.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.552 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 77.5 mt -125.96 151.04 47.55 Favored 'General case' 0 CA--C 1.475 -1.933 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.583 HG13 ' HB2' ' A' ' 20' ' ' GLU . 59.8 t -124.57 142.53 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 O-C-N 125.694 1.871 . . . . 0.0 107.083 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD11 HH11 ' A' ' 12' ' ' ARG . 92.1 mt -108.3 143.0 37.75 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.684 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -57.02 155.21 8.5 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 125.147 1.379 . . . . 0.0 111.125 159.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HE2' ' OD1' ' A' ' 46' ' ' ASP . 65.2 pttt -64.96 -40.89 95.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 119.623 -1.923 . . . . 0.0 113.724 169.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.93 -37.34 81.98 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.488 1.915 . . . . 0.0 109.228 -162.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -93.2 -44.5 8.31 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -157.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.709 ' HG2' ' H ' ' A' ' 14' ' ' SER . 72.6 ttt180 -103.08 -51.73 3.19 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 128.487 2.715 . . . . 0.0 109.994 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -11.3 84.64 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.922 2.146 . . . . 0.0 116.404 -133.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.709 ' H ' ' HG2' ' A' ' 12' ' ' ARG . 99.6 p -65.63 -55.38 17.85 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.645 -1.909 . . . . 0.0 114.151 149.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -138.02 -4.5 1.73 Allowed 'General case' 0 C--N 1.267 -2.986 0 C-N-CA 128.573 2.749 . . . . 0.0 113.874 164.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.39 9.31 13.58 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -134.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.88 137.23 40.28 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 110.474 -3.057 . . . . 0.0 113.099 -169.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m 65.67 15.78 10.2 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.02 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -34.57 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 CA-C-O 116.07 -1.919 . . . . 0.0 114.325 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.847 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 38.5 tp10 -58.31 -45.36 88.16 Favored 'General case' 1 C--O 1.132 -5.117 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 97.2 mt -60.79 -49.12 78.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.78 -37.56 87.16 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 117.779 -1.105 . . . . 0.0 111.109 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.48 -36.27 73.76 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 116.206 -1.854 . . . . 0.0 111.214 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 96.7 mt -49.49 -56.58 9.3 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.02 -52.5 59.2 Favored 'General case' 0 N--CA 1.437 -1.087 0 O-C-N 120.937 -1.102 . . . . 0.0 112.665 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.84 -36.53 56.76 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.329 -0.948 . . . . 0.0 113.221 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.769 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 83.8 mt-10 -64.41 -40.37 95.65 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 4.9 t80 -61.1 -51.21 70.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.409 1.099 . . . . 0.0 112.898 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.2 p -63.88 -42.53 97.47 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 121.156 -0.965 . . . . 0.0 108.765 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -74.16 -49.35 24.05 Favored 'General case' 0 C--O 1.273 2.292 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -172.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -154.75 160.35 41.26 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 122.001 0.905 . . . . 0.0 113.246 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 81' ' ' ILE . 64.4 pttt -106.57 117.26 33.58 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.813 HH22 ' HA ' ' A' ' 4' ' ' LYS . 10.1 ptm180 -160.93 -175.13 4.75 Favored 'General case' 0 CA--C 1.477 -1.831 0 O-C-N 120.451 -1.405 . . . . 0.0 109.672 -144.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 86.2 p -149.77 164.39 35.42 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 80' ' ' HIS . 1.4 pp -134.69 164.36 34.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 72.6 m-85 -114.83 124.48 51.85 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.757 -1.11 . . . . 0.0 113.87 157.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -102.1 115.27 30.19 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -172.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 3.6 t80 -93.06 103.28 15.59 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 124.394 1.078 . . . . 0.0 108.849 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.684 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -134.84 143.92 48.33 Favored Pre-proline 0 CA--C 1.465 -2.299 0 O-C-N 119.364 -2.085 . . . . 0.0 109.084 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -62.92 152.43 79.13 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 115.678 -2.414 . . . . 0.0 116.941 -129.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 m -68.69 -40.68 79.94 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 161.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.9 -43.72 78.62 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 115.506 -2.188 . . . . 0.0 115.41 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.52 -26.46 11.4 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 122.278 2.308 . . . . 0.0 116.013 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.87 20.73 12.39 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.578 2.351 . . . . 0.0 111.009 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -93.3 -53.17 4.2 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.695 -1.878 . . . . 0.0 112.583 -163.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 64.2 m-20 -64.2 -35.62 81.41 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.407 ' N ' ' HB1' ' A' ' 39' ' ' ALA . 65.0 ttp -61.96 -46.91 87.2 Favored 'General case' 0 CA--C 1.56 1.352 0 O-C-N 124.449 1.093 . . . . 0.0 113.731 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.38 -37.36 86.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.238 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.29 -35.67 81.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.647 -1.221 . . . . 0.0 112.069 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.17 72.77 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.65 -49.13 46.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 124.292 0.995 . . . . 0.0 111.583 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 98.1 m-20 -75.63 -40.05 56.83 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 116.767 -1.587 . . . . 0.0 109.36 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -63.78 -37.88 89.03 Favored 'General case' 0 CA--C 1.476 -1.89 0 C-N-CA 118.036 -1.466 . . . . 0.0 110.845 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.847 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 19.0 m-30 -61.7 -43.46 98.81 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 125.83 1.956 . . . . 0.0 109.991 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.81 -42.65 85.55 Favored 'General case' 0 CA--C 1.48 -1.749 0 C-N-CA 124.131 0.972 . . . . 0.0 112.573 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 95.3 mt-10 -59.71 -29.11 67.89 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-O 125.664 2.65 . . . . 0.0 111.523 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.615 ' HZ3' ' HB3' ' A' ' 21' ' ' LEU . 97.0 mttt -104.99 146.1 29.51 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 117.038 -3.539 . . . . 0.0 112.877 171.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.5 -11.21 85.08 Favored Glycine 1 C--O 1.167 -4.076 0 N-CA-C 120.92 3.128 . . . . 0.0 120.92 -173.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -65.87 -44.22 86.02 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.0 t -67.3 148.46 51.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.12 -45.73 8.51 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 165.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HD2' HD12 ' A' ' 79' ' ' LEU . 78.8 t80 -144.25 120.85 11.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -153.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 63.2 tp -119.19 136.43 54.2 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 172.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.39 171.76 17.54 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.64 162.83 28.98 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.337 -2.102 . . . . 0.0 110.264 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 75' ' ' PHE . 18.7 m -80.39 163.87 3.28 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-O 124.045 1.879 . . . . 0.0 108.907 147.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -72.84 -31.32 64.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 129.205 3.002 . . . . 0.0 116.417 167.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.0 m -62.85 -9.29 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.367 -1.458 . . . . 0.0 111.234 161.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 66.3 m -59.78 -43.08 94.57 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 116.553 -1.689 . . . . 0.0 111.468 171.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -62.15 -38.31 88.52 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 123.068 2.667 . . . . 0.0 109.271 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.53 -42.47 78.41 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -125.21 -26.15 3.7 Favored 'General case' 0 CA--C 1.431 -3.627 0 C-N-CA 117.799 -1.56 . . . . 0.0 112.23 -169.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 45.06 56.4 5.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 O-C-N 119.732 -1.855 . . . . 0.0 115.841 -158.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -92.51 -44.35 8.69 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 148.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 38' ' ' PHE . 28.6 m-85 -110.75 133.3 53.46 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 121.236 1.834 . . . . 0.0 112.814 -150.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 63' ' ' LEU . 96.1 mt -100.46 138.57 37.35 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 120.546 -1.346 . . . . 0.0 112.2 160.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 6.4 t80 -93.74 106.26 18.24 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 176.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' HD12 ' A' ' 63' ' ' LEU . 17.5 tt0 -125.75 127.34 46.02 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.687 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' A' ' 62' ' ' TYR . 5.3 mp -119.42 128.33 53.94 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 119.841 -1.787 . . . . 0.0 108.617 -162.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 35' ' ' ILE . 63.2 m170 -110.25 124.07 50.94 Favored 'General case' 0 CA--C 1.456 -2.648 0 CA-C-O 114.502 -2.666 . . . . 0.0 108.034 -162.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 32' ' ' LYS . 91.6 mt 59.95 -60.68 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.607 -2.14 . . . . 0.0 107.868 -160.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 34' ' ' SER . 18.5 pt . . . . . 1 C--O 1.337 5.673 1 CA-C-O 108.909 -5.329 . . . . 0.0 104.417 -162.749 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 C--O 1.184 -2.35 0 CA-C-O 115.263 -2.303 . . . . 0.0 107.749 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -84.77 70.97 10.89 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 126.691 1.996 . . . . 0.0 110.47 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.589 ' SD ' HD22 ' A' ' 5' ' ' LEU . 27.6 ptm -120.91 33.41 5.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 111.117 -2.765 . . . . 0.0 114.993 155.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.53 ' HG2' HH21 ' A' ' 33' ' ' ARG . 95.8 mttt 54.59 43.82 29.64 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 119.39 3.107 . . . . 0.0 119.39 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD22 ' SD ' ' A' ' 3' ' ' MET . 1.4 pp -120.46 159.62 24.78 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 112.377 -3.678 . . . . 0.0 111.455 -172.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 20' ' ' GLU . 97.0 t -108.91 142.54 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 128.694 3.746 . . . . 0.0 110.334 159.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 7' ' ' LEU . 95.3 mt -112.83 139.07 48.77 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.563 -1.336 . . . . 0.0 113.478 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . . . -66.84 145.38 55.55 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 121.424 -0.797 . . . . 0.0 112.701 167.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' HD3' ' HB3' ' A' ' 17' ' ' LYS . 58.6 pttt -82.93 -30.63 28.24 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.03 175.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.404 ' ND2' ' HD3' ' A' ' 45' ' ' LYS . 99.0 m-20 -64.91 -43.96 91.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.419 1.009 . . . . 0.0 110.255 -159.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.8 p -74.43 -40.31 62.04 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -100.7 -43.94 5.98 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.042 0.837 . . . . 0.0 112.219 -167.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 4.75 107.56 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 128.929 2.891 . . . . 0.0 116.555 -143.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -90.87 -71.68 0.62 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 118.542 -0.742 . . . . 0.0 112.271 129.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -151.04 7.95 0.54 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.86 -28.23 68.17 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.357 -146.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.57 ' HB3' ' HD3' ' A' ' 9' ' ' LYS 0.315 83.8 tttt -79.61 57.94 2.6 Favored 'General case' 0 C--O 1.194 -1.838 0 CA-C-O 116.722 -1.609 . . . . 0.0 113.933 -169.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.6 p -127.63 -5.64 5.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 138.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.54 -39.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 125.556 1.542 . . . . 0.0 113.74 -155.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HB3' HG22 ' A' ' 6' ' ' VAL . 26.6 pt-20 -57.77 -41.5 82.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 119.283 0.947 . . . . 0.0 112.598 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' CD2' ' HD2' ' A' ' 57' ' ' LYS . 95.3 mt -61.79 -47.15 86.43 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 119.413 -2.055 . . . . 0.0 110.675 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.04 -43.47 98.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 116.555 -1.688 . . . . 0.0 112.648 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -66.87 -36.57 82.61 Favored 'General case' 0 CA--C 1.484 -1.579 0 O-C-N 124.577 1.173 . . . . 0.0 108.892 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 8.5 mp -64.28 -50.25 68.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 119.765 1.166 . . . . 0.0 107.976 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.04 -48.84 78.88 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.293 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -83.64 -37.78 22.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -168.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 94.7 mt-10 -61.61 -42.19 98.52 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 119.635 -1.916 . . . . 0.0 108.997 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.3 t80 -59.42 -47.62 84.76 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.232 0.957 . . . . 0.0 111.742 177.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -71.13 -33.31 69.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.01 -46.95 14.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 119.126 0.875 . . . . 0.0 108.762 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -147.68 166.36 27.69 Favored 'General case' 0 CA--C 1.558 1.271 0 O-C-N 121.86 -0.525 . . . . 0.0 111.733 -154.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.511 ' HG2' HD11 ' A' ' 81' ' ' ILE . 83.4 mttt -126.47 115.95 20.37 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 118.31 -2.744 . . . . 0.0 115.366 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.53 HH21 ' HG2' ' A' ' 4' ' ' LYS . 17.1 ptm180 -168.71 172.84 7.64 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.315 -137.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -135.17 172.01 13.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 120.006 1.276 . . . . 0.0 108.342 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 ' CG1' ' HB3' ' A' ' 78' ' ' GLU . 44.5 pt -142.16 165.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-O 122.998 1.38 . . . . 0.0 109.194 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' HB2' ' HE1' ' A' ' 38' ' ' PHE . 50.9 m-85 -112.58 148.08 35.3 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.436 -1.256 . . . . 0.0 107.817 162.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -119.36 123.81 45.06 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 177.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -106.02 89.75 3.16 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 127.4 2.28 . . . . 0.0 106.75 -177.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . . . -134.4 144.9 53.04 Favored Pre-proline 0 C--O 1.204 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 112.589 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 8' ' ' ALA . 59.8 Cg_exo -60.39 149.15 87.67 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 CA-C-O 115.889 -1.796 . . . . 0.0 115.495 -122.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -64.88 -47.12 78.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 116.828 -1.949 . . . . 0.0 111.507 155.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -70.07 -38.1 75.64 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 125.09 1.356 . . . . 0.0 111.559 -160.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.73 -38.76 10.2 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 53.32 36.03 21.78 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 128.821 2.849 . . . . 0.0 112.562 -165.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HD3' ' ND2' ' A' ' 10' ' ' ASN . 84.1 tttt -101.22 -57.3 2.12 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.313 -167.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.7 m-20 -67.18 -36.14 81.13 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.658 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.8 ttp -64.09 -41.68 97.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.618 0.644 . . . . 0.0 111.631 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -43.83 90.43 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.894 0.878 . . . . 0.0 110.428 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 64.8 mmtt -64.17 -35.3 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 172.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.84 89.45 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.339 1.025 . . . . 0.0 113.346 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.09 -46.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.999 0.904 . . . . 0.0 109.656 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.0 -43.0 89.02 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.76 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.31 -38.26 90.41 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' HD2' ' CD1' ' A' ' 63' ' ' LEU . 20.5 m-30 -64.83 -35.05 79.85 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 122.872 1.32 . . . . 0.0 111.559 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.42 -34.84 58.79 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 116.267 -1.825 . . . . 0.0 114.796 169.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.45 -32.01 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 121.253 1.842 . . . . 0.0 111.426 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.504 ' HD2' ' CD2' ' A' ' 21' ' ' LEU . 97.4 mttt -125.06 140.84 52.54 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.84 -16.3 70.61 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 118.481 2.153 . . . . 0.0 118.481 -155.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 96.3 m-70 -77.28 -29.13 53.66 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 117.167 -3.549 . . . . 0.0 117.147 -157.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -64.1 145.63 55.59 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 120.749 -1.219 . . . . 0.0 109.083 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.536 ' CB ' ' CG2' ' A' ' 82' ' ' ILE . . . -73.44 -38.14 65.61 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 121.273 -0.892 . . . . 0.0 110.014 167.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -163.14 164.68 25.19 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.855 1.347 . . . . 0.0 113.33 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.642 ' CD1' ' HD2' ' A' ' 54' ' ' PHE . 2.5 pt? -134.87 148.06 50.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.106 -0.996 . . . . 0.0 112.134 163.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -161.17 161.11 30.88 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.85 158.81 12.31 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.158 -0.964 . . . . 0.0 113.237 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.785 HG13 HG23 ' A' ' 68' ' ' VAL . 98.2 t -81.29 134.8 26.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 C-N-CA 116.097 -2.241 . . . . 0.0 109.809 151.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HA ' ' H ' ' A' ' 69' ' ' SER . 93.2 mtt-85 -84.47 66.19 9.33 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 118.703 -2.498 . . . . 0.0 114.284 158.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.785 HG23 HG13 ' A' ' 66' ' ' VAL . 28.6 m -97.61 9.48 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 128.825 2.85 . . . . 0.0 111.522 119.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.427 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 79.7 p -63.99 -43.24 96.31 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.0 p -57.54 -38.62 75.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -169.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -82.43 -41.7 19.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 127.7 3.125 . . . . 0.0 116.521 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -123.25 -27.23 4.17 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 119.471 1.032 . . . . 0.0 112.953 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.9 mttt 44.66 51.57 8.11 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -102.51 -36.41 8.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.447 -1.408 . . . . 0.0 112.068 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 27.0 m-85 -122.41 120.85 35.17 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 -140.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.5 mt -95.31 152.81 18.05 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.07 110.83 21.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.823 1.649 . . . . 0.0 109.421 167.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 35' ' ' ILE . 83.6 tt0 -111.36 133.87 53.36 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.665 -0.647 . . . . 0.0 109.38 -175.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 2.2 mp -116.38 124.31 49.75 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 120.145 -1.597 . . . . 0.0 108.757 -174.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -107.23 121.88 45.43 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -168.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 32' ' ' LYS . 84.7 mt 45.8 53.24 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 O-C-N 125.097 1.498 . . . . 0.0 112.116 -163.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.536 ' CG2' ' CB ' ' A' ' 61' ' ' ALA . 20.9 tt . . . . . 0 C--O 1.208 -1.113 1 O-C-N 115.72 -4.363 . . . . 0.0 116.559 164.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.497 -1.089 0 CA-C-O 115.494 -2.193 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -100.79 116.2 32.12 Favored 'General case' 0 CA--C 1.477 -1.86 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.7 mtp -109.84 -0.28 18.42 Favored 'General case' 0 C--N 1.263 -3.194 0 C-N-CA 131.05 3.74 . . . . 0.0 115.437 152.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.13 16.82 15.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 126.888 2.618 . . . . 0.0 108.96 -163.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -127.39 151.68 48.49 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 20' ' ' GLU . 85.6 t -124.57 130.42 73.49 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 159.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 5.5 mp -96.83 151.33 19.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.973 0.909 . . . . 0.0 112.01 170.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -67.91 142.04 56.17 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 130.668 3.587 . . . . 0.0 114.559 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.621 ' HE2' ' O ' ' A' ' 17' ' ' LYS . 88.7 mttt -62.16 -41.42 98.29 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.996 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -67.65 -45.49 75.15 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 116.199 -1.858 . . . . 0.0 114.973 -170.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 40' ' ' PRO . 39.9 p -69.42 -43.01 74.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 120.716 1.598 . . . . 0.0 112.828 172.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' HG3' ' HB3' ' A' ' 7' ' ' LEU . 77.8 mmt-85 -102.32 -29.35 11.71 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 112.784 -3.484 . . . . 0.0 115.942 -162.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 47.2 mmtm 54.55 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 123.099 2.681 . . . . 0.0 116.342 -176.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 12' ' ' ARG . 79.5 p -97.19 -18.13 19.45 Favored 'General case' 0 N--CA 1.413 -2.322 1 CA-C-O 108.34 -5.6 . . . . 0.0 111.793 -162.187 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' OD2' HD22 ' A' ' 7' ' ' LEU . 41.0 p-10 -117.55 -10.14 10.68 Favored 'General case' 1 C--N 1.237 -4.29 1 CA-C-N 132.404 6.911 . . . . 0.0 114.878 177.945 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 -0.57 25.79 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 127.794 2.438 . . . . 0.0 116.178 -154.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.621 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 97.6 mttt -58.99 -33.48 70.75 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.336 -1.793 . . . . 0.0 109.709 -149.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -145.05 29.23 1.2 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 153.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.06 -37.98 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -155.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 34.9 tp10 -62.42 -45.85 91.22 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.319 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD23 ' HZ2' ' A' ' 57' ' ' LYS . 77.0 mt -61.36 -53.78 52.25 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-O 114.09 -2.862 . . . . 0.0 108.304 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.36 -43.75 98.35 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 122.567 2.44 . . . . 0.0 112.144 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 55.2 t0 -64.92 -38.45 91.02 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 128.604 3.69 . . . . 0.0 107.844 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 14.2 mt -49.6 -61.51 2.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 123.869 1.795 . . . . 0.0 111.83 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 59' ' ' HIS . 73.1 t80 -66.02 -43.76 86.73 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.963 -1.085 . . . . 0.0 110.126 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -73.3 -42.47 62.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 119.594 -1.941 . . . . 0.0 114.323 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 34.2 tt0 -61.66 -44.55 96.75 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 115.073 -2.394 . . . . 0.0 105.777 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HD1' ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.77 -35.12 72.46 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 115.973 -2.291 . . . . 0.0 113.724 -177.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.4 p -65.44 -46.74 78.69 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-O 115.944 -1.979 . . . . 0.0 110.941 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -81.56 -41.15 22.01 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 125.694 1.871 . . . . 0.0 113.298 -165.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -159.74 149.07 18.01 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-O 125.039 2.352 . . . . 0.0 114.905 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HE2' HG23 ' A' ' 81' ' ' ILE . 96.9 mttt -102.48 116.22 32.17 Favored 'General case' 0 C--O 1.302 3.86 1 O-C-N 115.207 -4.683 . . . . 0.0 112.254 -170.105 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -175.82 166.52 3.09 Favored 'General case' 0 C--N 1.25 -3.744 0 CA-C-N 123.356 2.798 . . . . 0.0 108.336 -134.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.627 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 91.6 p -144.19 155.57 43.95 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 125.091 1.357 . . . . 0.0 110.107 -168.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.513 HD12 ' HE2' ' A' ' 80' ' ' HIS . 47.9 pt -131.31 149.15 32.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.593 1.187 . . . . 0.0 109.726 -169.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 92.2 m-85 -93.9 152.67 18.7 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-O 123.204 1.478 . . . . 0.0 108.41 148.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.474 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 16.6 t80 -123.4 112.4 17.51 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.85 1.26 . . . . 0.0 107.829 173.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 43.4 t80 -93.54 94.09 8.45 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 125.623 1.569 . . . . 0.0 111.847 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.682 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -135.25 143.2 44.63 Favored Pre-proline 0 C--O 1.206 -1.207 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' HB3' HG23 ' A' ' 11' ' ' THR . 73.3 Cg_endo -64.96 152.17 83.27 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 115.662 -2.426 . . . . 0.0 115.314 -124.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.0 m -69.1 -37.65 78.52 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 125.245 1.418 . . . . 0.0 111.488 158.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.98 -47.58 65.25 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 120.262 -1.524 . . . . 0.0 112.692 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.88 8.33 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.25 -166.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 91.0 m-70 58.25 32.53 22.16 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 123.158 1.456 . . . . 0.0 111.517 -168.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.45 -54.86 2.83 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 124.409 1.083 . . . . 0.0 113.886 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 96.5 m-20 -61.19 -35.11 76.26 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 125.622 1.826 . . . . 0.0 107.077 172.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 58.2 ttm -66.21 -43.01 87.95 Favored 'General case' 0 N--CA 1.444 -0.768 1 O-C-N 116.064 -4.148 . . . . 0.0 114.651 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.14 -44.07 83.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.865 0.841 . . . . 0.0 110.382 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.36 -37.98 88.67 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.13 1.772 . . . . 0.0 112.437 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.83 77.05 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.77 -42.92 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 123.354 1.55 . . . . 0.0 109.575 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.07 -44.28 72.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 116.755 -1.593 . . . . 0.0 114.041 172.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.42 -45.72 93.14 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 120.585 1.539 . . . . 0.0 110.045 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 22.5 m-30 -63.07 -47.26 83.68 Favored 'General case' 0 CA--C 1.468 -2.187 0 CA-C-O 113.804 -2.998 . . . . 0.0 104.079 -165.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.66 -39.5 94.09 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 121.518 1.963 . . . . 0.0 111.094 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -53.16 -45.43 68.45 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 117.902 -2.999 . . . . 0.0 113.453 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 98.1 mttt -93.42 144.09 25.66 Favored 'General case' 0 CA--C 1.463 -2.393 1 CA-C-O 111.401 -4.143 . . . . 0.0 116.261 176.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -6.67 59.02 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 127.928 2.68 . . . . 0.0 118.852 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CE1' ' HD3' ' A' ' 57' ' ' LYS . 63.5 m170 -68.75 -30.85 69.55 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 112.413 -3.66 . . . . 0.0 106.868 -152.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -101.13 146.61 27.25 Favored 'General case' 0 C--N 1.265 -3.081 1 CA-C-N 130.115 5.871 . . . . 0.0 112.783 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.43 ' H ' ' HA ' ' A' ' 80' ' ' HIS . . . -65.3 -49.63 68.78 Favored 'General case' 0 CA--C 1.499 -1.01 0 O-C-N 118.121 -2.862 . . . . 0.0 118.135 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -145.22 153.53 41.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.853 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.609 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -127.02 135.01 50.23 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 160.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -159.6 145.6 16.04 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.86 158.81 7.69 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 116.725 -3.734 . . . . 0.0 116.813 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 69' ' ' SER . 57.5 t -74.52 141.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-O 115.279 -2.296 . . . . 0.0 106.862 155.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.627 ' HD3' ' OG ' ' A' ' 69' ' ' SER . 40.4 mmt180 -90.63 61.51 4.87 Favored 'General case' 0 C--O 1.189 -2.101 1 CA-C-N 127.245 4.566 . . . . 0.0 118.305 151.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.4 m -96.87 7.44 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 127.525 2.33 . . . . 0.0 109.364 128.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.627 ' OG ' ' HD3' ' A' ' 67' ' ' ARG . 94.0 p -63.25 -43.23 98.59 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 127.146 2.178 . . . . 0.0 112.453 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.1 p -62.73 -34.44 77.18 Favored 'General case' 0 C--O 1.202 -1.408 0 CA-C-O 115.807 -2.044 . . . . 0.0 109.439 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -84.29 -51.11 7.25 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 116.432 -1.747 . . . . 0.0 114.815 167.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -120.54 -26.66 5.3 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 124.382 3.264 . . . . 0.0 107.256 -158.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HG2' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tptp 52.88 45.12 29.41 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 130.405 3.482 . . . . 0.0 113.271 172.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.21 -41.38 6.4 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.507 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 67.9 m-85 -108.68 117.32 33.87 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 127.906 2.482 . . . . 0.0 110.119 -152.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 94.0 mt -83.42 141.55 31.63 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.165 156.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -104.3 114.32 28.48 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 123.248 1.499 . . . . 0.0 108.659 162.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 35' ' ' ILE . 85.1 tt0 -125.13 127.95 47.65 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -174.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 3.6 mp -116.36 129.0 56.02 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 117.289 -3.382 . . . . 0.0 108.017 -161.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' HE2' HD12 ' A' ' 35' ' ' ILE . 10.9 m170 -112.19 115.83 29.47 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.736 ' O ' HG21 ' A' ' 81' ' ' ILE . 63.2 mt 51.62 41.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.358 -174.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.627 ' CD1' ' HB3' ' A' ' 34' ' ' SER . 94.7 mt . . . . . 1 C--O 1.357 6.732 3 CA-C-O 109.571 -5.014 . . . . 0.0 110.194 -178.716 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 117.517 -1.23 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -114.87 122.06 45.15 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 118.606 2.817 . . . . 0.0 118.606 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.6 mmm -108.69 9.7 27.04 Favored 'General case' 0 C--O 1.172 -3.009 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 158.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.4 mttt -94.6 9.64 37.89 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 128.84 2.856 . . . . 0.0 113.299 -165.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.656 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 94.0 mt -115.55 145.48 42.61 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 20' ' ' GLU . 91.4 t -123.52 121.62 63.05 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.296 1 O-C-N 129.514 4.259 . . . . 0.0 116.05 169.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 38' ' ' PHE . 94.7 mt -101.39 146.5 27.52 Favored 'General case' 0 C--O 1.183 -2.401 0 CA-C-O 125.236 2.446 . . . . 0.0 110.673 -166.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HB3' ' HD3' ' A' ' 40' ' ' PRO . . . -58.47 135.69 57.33 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.259 -2.775 . . . . 0.0 116.282 163.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.97 -42.18 97.32 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-O 116.936 -1.507 . . . . 0.0 112.023 163.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.34 -49.1 75.27 Favored 'General case' 0 C--O 1.208 -1.128 0 O-C-N 124.968 1.418 . . . . 0.0 113.452 -151.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m -70.09 -44.89 68.13 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 118.185 2.661 . . . . 0.0 118.185 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' NE ' HD22 ' A' ' 7' ' ' LEU . 90.6 mtt-85 -86.21 -39.92 16.12 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 126.378 2.299 . . . . 0.0 108.994 -168.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 52.12 46.99 25.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 127.421 2.289 . . . . 0.0 110.261 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.1 p -87.89 -71.28 0.58 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 115.28 -2.568 . . . . 0.0 117.656 151.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 42.0 p-10 -152.09 5.51 0.42 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 174.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.18 93.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 125.905 1.682 . . . . 0.0 107.062 -139.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 85.5 tttt -78.73 64.64 3.78 Favored 'General case' 0 C--O 1.182 -2.468 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.376 -162.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.9 p -124.16 -22.14 4.85 Favored 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 139.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG11 ' OD2' ' A' ' 23' ' ' ASP . 96.3 t -64.34 -35.57 74.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 C-N-CA 126.687 1.995 . . . . 0.0 114.145 -158.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.681 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . 34.1 tp10 -60.14 -43.7 95.52 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 120.78 -1.2 . . . . 0.0 109.341 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.662 HD23 ' HD2' ' A' ' 57' ' ' LYS . 97.2 mt -62.92 -47.29 83.9 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.32 -36.97 85.69 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 119.144 -2.222 . . . . 0.0 110.976 174.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.519 ' OD2' HG11 ' A' ' 19' ' ' VAL . 94.6 m-20 -64.96 -40.56 95.17 Favored 'General case' 0 CA--C 1.473 -2.015 0 O-C-N 126.315 2.259 . . . . 0.0 110.934 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 68.0 mt -49.35 -58.42 5.13 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 123.861 1.791 . . . . 0.0 108.651 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 76.4 t80 -65.58 -49.35 69.14 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -173.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.418 ' HD2' ' HD2' ' A' ' 25' ' ' TYR . 64.2 m170 -69.65 -42.67 73.93 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.592 -169.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.794 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 97.1 mt-10 -65.77 -43.39 88.98 Favored 'General case' 0 C--O 1.2 -1.515 0 O-C-N 126.265 2.228 . . . . 0.0 110.452 -175.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.4 t80 -56.63 -52.56 64.42 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 124.888 1.367 . . . . 0.0 107.696 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.8 p -61.83 -46.59 88.81 Favored 'General case' 0 CA--C 1.49 -1.337 0 O-C-N 125.483 1.739 . . . . 0.0 112.298 -170.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.73 -46.39 37.76 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 128.218 3.449 . . . . 0.0 108.0 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.668 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 20.6 t0 -151.22 159.81 44.18 Favored 'General case' 0 N--CA 1.423 -1.813 0 O-C-N 121.027 -1.045 . . . . 0.0 113.776 -165.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.71 110.61 21.7 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 117.656 -3.153 . . . . 0.0 112.946 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.794 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 13.6 ptm180 -167.8 159.36 11.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 120.754 1.616 . . . . 0.0 109.756 -136.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.559 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 74.7 p -131.1 154.17 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 -163.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.454 HG12 ' HE1' ' A' ' 80' ' ' HIS . 45.7 pt -134.92 162.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 123.97 0.908 . . . . 0.0 108.551 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.656 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 90.2 m-85 -114.04 123.31 49.38 Favored 'General case' 0 C--O 1.194 -1.825 0 C-N-CA 128.537 2.735 . . . . 0.0 103.853 166.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.681 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t80 -85.12 115.83 23.14 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 131.243 3.817 . . . . 0.0 114.003 164.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.4 t80 -104.59 88.86 3.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 116.487 -3.883 . . . . 0.0 111.408 -175.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -139.91 151.58 65.8 Favored Pre-proline 0 CA--C 1.498 -1.045 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 -166.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 71.9 Cg_exo -62.74 149.82 90.04 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 113.509 -3.86 . . . . 0.0 115.936 -130.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.5 m -63.95 -43.89 94.45 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 126.297 2.248 . . . . 0.0 115.972 154.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -65.04 -42.97 93.83 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.58 -40.0 7.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.424 -1.423 . . . . 0.0 111.106 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.665 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 97.2 m-70 60.15 23.53 12.83 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 130.222 3.409 . . . . 0.0 114.593 -158.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -91.89 -44.77 8.73 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 115.498 -2.481 . . . . 0.0 106.111 -158.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 67.6 m-20 -62.59 -41.24 98.84 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 125.215 1.572 . . . . 0.0 107.461 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.99 -43.73 98.43 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.16 -37.1 83.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.16 -33.58 75.72 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 118.575 -2.578 . . . . 0.0 117.837 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.95 -40.9 73.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 123.053 1.406 . . . . 0.0 114.754 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.34 -45.81 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 CA-C-O 123.293 1.521 . . . . 0.0 108.804 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.28 -40.97 97.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -58.62 -43.54 89.69 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 120.445 -1.409 . . . . 0.0 112.155 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' HE1' ' CG ' ' A' ' 20' ' ' GLU . 19.1 m-85 -63.49 -43.37 97.46 Favored 'General case' 1 C--O 1.144 -4.449 0 CA-C-O 116.372 -1.775 . . . . 0.0 110.789 -177.223 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.67 -39.51 94.51 Favored 'General case' 0 CA--C 1.476 -1.876 0 CA-C-N 120.156 1.344 . . . . 0.0 111.0 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.01 -50.19 71.55 Favored 'General case' 0 CA--C 1.459 -2.541 0 CA-C-O 113.724 -3.036 . . . . 0.0 111.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HD2' HD23 ' A' ' 21' ' ' LEU . 97.8 mttt -107.69 134.82 50.12 Favored 'General case' 0 C--O 1.183 -2.443 0 O-C-N 127.554 3.034 . . . . 0.0 117.39 -170.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.82 -10.67 77.27 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-O 114.498 -3.39 . . . . 0.0 120.175 -168.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.658 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.4 -42.9 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 123.956 3.878 . . . . 0.0 120.542 -168.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.64 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.7 t -67.69 155.88 38.2 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 118.08 -2.888 . . . . 0.0 108.101 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 81' ' ' ILE . . . -97.26 -38.64 9.6 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.966 168.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.641 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 88.6 t80 -141.68 138.02 32.16 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.6 tp -123.18 130.38 52.68 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 119.901 -1.75 . . . . 0.0 107.015 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.641 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 16.7 t0 -139.1 165.22 27.72 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.624 1.969 . . . . 0.0 112.793 166.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 97.6 mt-10 -74.27 172.64 11.46 Favored 'General case' 0 C--N 1.329 -0.307 1 O-C-N 115.376 -4.578 . . . . 0.0 113.668 167.217 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG13 HG22 ' A' ' 68' ' ' VAL . 58.4 t -98.68 129.05 49.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 116.544 -2.062 . . . . 0.0 109.62 152.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.717 ' HA ' ' H ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -86.19 71.91 10.46 Favored 'General case' 1 C--O 1.103 -6.637 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.768 155.542 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.693 HG22 HG13 ' A' ' 66' ' ' VAL . 32.6 m -99.83 23.75 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.398 1 C-N-CA 133.044 4.538 . . . . 0.0 104.967 114.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.717 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 74.4 p -63.37 -37.54 87.68 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.102 -0.998 . . . . 0.0 109.547 173.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.0 m -60.84 -44.15 97.36 Favored 'General case' 0 N--CA 1.423 -1.779 0 C-N-CA 115.446 -2.502 . . . . 0.0 113.366 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -72.58 -47.28 49.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 119.875 3.287 . . . . 0.0 119.875 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -128.96 -33.62 1.98 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -160.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.665 ' HE2' ' CE1' ' A' ' 44' ' ' HIS . 88.6 tttt 50.34 55.08 10.02 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 128.659 2.784 . . . . 0.0 110.674 151.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 29.4 p-10 -139.95 -0.12 1.71 Allowed 'General case' 0 C--N 1.268 -2.967 0 O-C-N 116.743 -3.723 . . . . 0.0 115.716 163.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.624 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 72.3 m-85 -101.16 127.22 47.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.526 1.966 . . . . 0.0 109.792 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 83.0 mt -96.58 131.18 43.47 Favored 'General case' 0 C--O 1.208 -1.096 0 C-N-CA 128.194 2.597 . . . . 0.0 112.942 158.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -108.98 112.07 24.07 Favored 'General case' 0 N--CA 1.426 -1.643 0 O-C-N 119.679 -1.888 . . . . 0.0 107.44 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.407 ' OE1' ' CE1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -132.06 127.14 35.51 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -168.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.559 ' HG ' ' HB2' ' A' ' 34' ' ' SER . 4.8 mp -116.58 128.18 55.17 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -159.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 36.2 m80 -97.12 128.34 43.94 Favored 'General case' 0 CA--C 1.48 -1.749 0 CA-C-O 116.791 -1.576 . . . . 0.0 107.792 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.557 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 17.1 tt 29.01 66.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 128.207 3.442 . . . . 0.0 116.003 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' H ' ' HB2' ' A' ' 61' ' ' ALA . 20.0 tt . . . . . 0 N--CA 1.509 2.524 0 C-N-CA 129.016 2.926 . . . . 0.0 116.42 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.494 -1.21 0 CA-C-O 116.748 -1.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -121.29 137.0 54.89 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 116.252 -1.832 . . . . 0.0 114.923 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mmm -120.41 15.84 12.13 Favored 'General case' 0 N--CA 1.506 2.338 1 C-N-CA 132.41 4.284 . . . . 0.0 117.37 163.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -110.31 23.18 14.61 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 119.924 -1.735 . . . . 0.0 114.042 -171.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 5.8 mp -127.59 154.02 45.71 Favored 'General case' 0 C--O 1.207 -1.168 0 O-C-N 120.232 -1.542 . . . . 0.0 108.508 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' A' ' 20' ' ' GLU . 96.2 t -122.82 125.72 72.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 124.606 1.191 . . . . 0.0 110.702 169.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 38' ' ' PHE . 90.0 mt -88.94 139.77 30.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 123.291 1.52 . . . . 0.0 111.541 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . . . -59.01 144.45 45.17 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.748 1.219 . . . . 0.0 109.295 166.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 62.2 pttt -61.92 -45.97 91.39 Favored 'General case' 0 C--O 1.199 -1.597 0 CA-C-O 117.077 -1.44 . . . . 0.0 111.851 160.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.58 -47.16 79.75 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 123.757 2.98 . . . . 0.0 115.136 -148.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 m -72.32 -40.58 67.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.912 2.485 . . . . 0.0 115.828 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -100.89 -54.6 2.77 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 118.926 -2.359 . . . . 0.0 109.739 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 96.9 mttt 44.0 48.88 7.35 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -162.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.9 p -78.7 -47.76 16.3 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.582 2.447 . . . . 0.0 114.594 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -164.35 7.47 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 127.27 2.228 . . . . 0.0 113.386 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . . . -62.87 -40.84 98.72 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 122.165 0.983 . . . . 0.0 108.966 -151.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD2' ' HD3' ' A' ' 9' ' ' LYS . 88.6 tttt -58.67 146.8 35.08 Favored 'General case' 0 C--O 1.204 -1.305 0 CA-C-O 116.902 -1.523 . . . . 0.0 112.345 -160.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 m 63.1 14.66 7.84 Favored 'General case' 0 N--CA 1.489 1.496 1 C-N-CA 132.188 4.195 . . . . 0.0 113.28 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.15 -36.94 70.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.939 2.096 . . . . 0.0 113.647 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 25.1 pt-20 -58.38 -49.21 78.08 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 115.048 -2.406 . . . . 0.0 108.387 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 HD13 ' HZ2' ' A' ' 57' ' ' LYS . 77.8 mt -64.75 -45.26 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 123.632 2.923 . . . . 0.0 109.284 -161.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.08 -40.27 88.95 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 130.284 3.434 . . . . 0.0 114.417 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -65.78 -40.23 91.76 Favored 'General case' 0 CA--C 1.482 -1.637 0 O-C-N 124.999 1.437 . . . . 0.0 110.22 173.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 47.7 mt -59.11 -50.46 73.96 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -64.48 -51.19 64.3 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -69.1 -42.58 75.93 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 124.567 1.167 . . . . 0.0 111.283 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.5 -44.1 83.5 Favored 'General case' 0 CA--C 1.48 -1.744 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.6 t80 -57.94 -49.72 75.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -66.27 -40.45 90.11 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.723 1.209 . . . . 0.0 113.068 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -78.49 -44.52 24.28 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.995 1.318 . . . . 0.0 111.341 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.2 167.38 27.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.533 1.933 . . . . 0.0 113.696 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -122.62 126.51 47.81 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 117.981 -2.949 . . . . 0.0 114.312 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.797 ' HG2' ' H ' ' A' ' 34' ' ' SER . 28.5 ttm180 -172.26 -179.78 2.38 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 128.663 2.785 . . . . 0.0 112.827 -131.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.797 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 82.5 p -152.66 165.17 36.08 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 117.52 -3.237 . . . . 0.0 107.368 -176.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 pt -147.96 158.1 8.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 123.642 1.687 . . . . 0.0 109.385 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 81.9 m-85 -101.36 139.17 37.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.649 -2.069 . . . . 0.0 110.59 158.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 22.4 t80 -107.48 101.16 10.52 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 168.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HB3' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -94.07 92.82 7.5 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 130.844 3.658 . . . . 0.0 105.44 -166.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . . . -141.83 149.56 53.54 Favored Pre-proline 0 C--O 1.19 -2.055 0 CA-C-N 114.497 -1.229 . . . . 0.0 107.95 -160.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.7 Cg_endo -66.37 148.63 84.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-N 120.003 1.037 . . . . 0.0 114.128 -129.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -69.87 -37.2 76.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.8 1.762 . . . . 0.0 109.561 161.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.62 -39.55 80.75 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 127.465 2.306 . . . . 0.0 113.934 -158.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.264 . . -132.16 -16.62 2.79 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -174.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 47.38 39.74 9.57 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 124.891 1.276 . . . . 0.0 108.963 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -97.12 -48.09 5.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.444 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.61 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 92.7 m-20 -63.41 -36.86 85.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.677 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 66.4 ttp -64.44 -42.13 96.16 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 119.284 0.947 . . . . 0.0 112.794 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.07 -42.08 98.83 Favored 'General case' 0 C--N 1.345 0.391 0 O-C-N 121.646 -0.659 . . . . 0.0 110.651 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 98.2 mttt -66.14 -33.4 75.69 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.176 -1.392 . . . . 0.0 111.458 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.67 85.68 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 124.137 0.898 . . . . 0.0 112.323 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.26 -45.49 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.826 -1.15 . . . . 0.0 108.712 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.37 -44.47 94.71 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.446 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 21.2 m-30 -64.96 -35.71 82.05 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-O 122.025 0.917 . . . . 0.0 113.339 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -68.19 -35.27 77.74 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.867 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -35.64 75.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 127.927 2.491 . . . . 0.0 113.556 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.76 -39.35 77.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 116.546 -1.693 . . . . 0.0 110.962 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HZ2' HD13 ' A' ' 21' ' ' LEU . 97.6 mttt -112.86 139.77 48.22 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.37 37.42 3.14 Favored Glycine 0 CA--C 1.563 3.089 0 N-CA-C 122.726 3.85 . . . . 0.0 122.726 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.0 m-70 -93.15 -35.11 13.34 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 124.001 3.9 . . . . 0.0 113.218 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t -66.09 150.19 49.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.77 12.57 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.378 -1.283 . . . . 0.0 107.833 167.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -157.76 154.24 27.85 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -169.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 76' ' ' LEU . 64.7 tp -129.61 137.03 50.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.895 1.278 . . . . 0.0 112.053 172.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.532 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.9 t0 -149.75 -179.98 7.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 165.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -82.48 169.98 15.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 119.29 -2.131 . . . . 0.0 112.348 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.568 ' CG2' ' H ' ' A' ' 69' ' ' SER . 27.8 m -77.4 166.96 2.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 125.603 3.819 . . . . 0.0 110.847 142.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -71.39 -34.34 70.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.524 3.53 . . . . 0.0 115.87 167.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.0 -3.1 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 118.839 -2.413 . . . . 0.0 110.799 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.568 ' H ' ' CG2' ' A' ' 66' ' ' VAL . 69.9 m -76.31 47.96 0.5 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 120.273 -1.517 . . . . 0.0 113.483 140.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.5 p -99.29 -56.48 2.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 132.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -71.33 -38.43 71.67 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 128.07 2.548 . . . . 0.0 112.013 -157.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.13 -22.74 2.81 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.68 1.192 . . . . 0.0 113.16 -168.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.13 50.27 13.91 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 113.986 -2.912 . . . . 0.0 113.707 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -117.48 -39.54 3.16 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.562 ' HB2' HG21 ' A' ' 66' ' ' VAL . 96.8 m-85 -106.72 122.09 45.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 124.117 0.886 . . . . 0.0 112.464 -171.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 93.0 mt -87.61 146.0 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.548 -0.72 . . . . 0.0 111.371 157.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -108.08 112.68 25.35 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.186 0.594 . . . . 0.0 110.753 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -127.15 129.86 48.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.274 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 1.5 mp -120.54 137.67 54.26 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -164.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -110.17 120.02 41.1 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 116.543 -1.694 . . . . 0.0 107.568 -167.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt 57.89 -32.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 -164.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.497 1.905 0 CA-C-N 123.167 2.712 . . . . 0.0 113.312 -166.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.235 0.313 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -100.21 116.89 33.26 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 117.985 -1.486 . . . . 0.0 107.528 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mtp -116.87 29.84 7.69 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.36 -2.2 . . . . 0.0 113.328 161.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 51.39 43.92 29.22 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.691 1.587 . . . . 0.0 109.846 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 pp -130.69 166.07 21.51 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.327 172.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.559 HG11 ' HB3' ' A' ' 20' ' ' GLU . 79.5 t -121.43 145.02 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.622 161.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 38' ' ' PHE . 90.9 mt -118.28 140.78 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -63.29 159.09 18.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.867 2.067 . . . . 0.0 112.522 166.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.46 -14.1 24.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 118.304 -2.748 . . . . 0.0 118.008 174.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.513 HD21 ' HG3' ' A' ' 40' ' ' PRO . 97.9 m-20 -67.24 -39.1 86.14 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 126.033 1.733 . . . . 0.0 107.891 -169.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -101.38 -45.6 5.27 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 125.155 1.534 . . . . 0.0 114.21 -163.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -99.23 -50.37 4.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.234 1.414 . . . . 0.0 114.35 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 87.6 tttt 51.38 52.08 15.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.603 0.761 . . . . 0.0 112.654 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p -92.03 -56.37 3.1 Favored 'General case' 0 C--O 1.183 -2.396 0 O-C-N 119.7 -1.875 . . . . 0.0 114.731 171.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -152.56 17.15 0.61 Allowed 'General case' 0 C--O 1.185 -2.29 0 O-C-N 121.24 -0.912 . . . . 0.0 113.22 163.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.31 84.37 Favored 'General case' 0 C--O 1.202 -1.397 0 C-N-CA 125.484 1.514 . . . . 0.0 114.901 -157.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 tttt -56.31 145.53 26.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -159.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 m 55.11 38.04 29.84 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.807 1.317 . . . . 0.0 107.873 166.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 m -98.49 -22.05 4.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 CA-C-O 115.781 -2.057 . . . . 0.0 108.62 169.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HB3' HG11 ' A' ' 6' ' ' VAL . 24.8 pt-20 -63.11 -36.42 83.54 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 115.11 -2.636 . . . . 0.0 108.172 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.692 ' CD2' ' HE3' ' A' ' 57' ' ' LYS . 98.8 mt -63.86 -50.23 69.64 Favored 'General case' 0 N--CA 1.438 -1.037 1 O-C-N 115.179 -4.701 . . . . 0.0 113.981 -178.57 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.26 -38.9 91.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.745 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.66 -36.67 78.87 Favored 'General case' 0 CA--C 1.482 -1.646 0 C-N-CA 119.949 -0.701 . . . . 0.0 109.362 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.563 ' HG ' ' HE2' ' A' ' 80' ' ' HIS . 11.2 mp -58.63 -59.19 5.79 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.958 -1.973 . . . . 0.0 106.886 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -59.67 -41.62 91.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 116.944 -1.903 . . . . 0.0 107.769 -163.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.46 -35.13 11.82 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.273 -1.785 . . . . 0.0 114.136 -162.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE1' ' CD1' ' A' ' 35' ' ' ILE . 94.2 mt-10 -60.47 -38.01 82.85 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.46 -49.8 76.01 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 127.908 2.483 . . . . 0.0 113.793 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -73.66 -33.52 64.52 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 116.293 -1.813 . . . . 0.0 115.831 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -82.98 -39.97 20.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 126.765 2.541 . . . . 0.0 114.253 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.03 166.24 33.89 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HD3' HG23 ' A' ' 81' ' ' ILE . 97.2 mttt -109.62 120.51 42.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 117.242 -1.783 . . . . 0.0 112.092 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.573 ' HG2' ' N ' ' A' ' 34' ' ' SER . 33.2 ttm180 -152.09 173.14 15.28 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 121.984 2.175 . . . . 0.0 110.361 -146.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.573 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 50.1 m -125.34 167.47 14.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 119.693 -1.88 . . . . 0.0 109.783 157.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 35' ' ' ILE . 83.1 mt -131.4 153.47 38.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 C-N-CA 125.878 1.671 . . . . 0.0 111.602 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 5' ' ' LEU . 54.4 p90 -114.57 151.78 32.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 124.2 1.952 . . . . 0.0 113.767 148.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.551 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 86.4 m-85 -116.62 124.74 50.52 Favored 'General case' 0 C--O 1.203 -1.349 0 O-C-N 120.798 -1.189 . . . . 0.0 108.405 -171.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.463 ' HB3' HD21 ' A' ' 7' ' ' LEU . 63.4 t80 -105.97 94.8 5.37 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.485 1.914 . . . . 0.0 113.56 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . . . -138.91 144.82 42.95 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' HG3' HD21 ' A' ' 10' ' ' ASN . 65.6 Cg_endo -69.96 153.45 68.02 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 -113.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 m -70.58 -39.84 73.62 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 170.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.67 -44.89 84.89 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -25.27 8.46 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.44 ' H ' ' HG2' ' A' ' 40' ' ' PRO . 95.3 m-70 54.7 40.88 32.17 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 120.339 -1.476 . . . . 0.0 110.359 -174.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -99.82 -56.37 2.4 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 117.26 2.319 . . . . 0.0 117.26 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.679 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 75.7 m-20 -60.67 -34.65 74.64 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 125.441 1.713 . . . . 0.0 107.882 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.544 ' HG3' HD12 ' A' ' 76' ' ' LEU . 66.3 ttp -67.28 -45.1 77.61 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 tp -57.15 -44.14 83.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.284 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.95 -33.06 71.61 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.11 0.964 . . . . 0.0 112.594 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.1 86.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.186 0.993 . . . . 0.0 113.095 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.0 t -55.94 -44.35 77.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.214 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.18 -41.84 94.2 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.491 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 20.0 m-30 -58.43 -39.87 80.99 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.249 0.968 . . . . 0.0 112.056 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 12.1 m-30 -73.51 -37.34 65.71 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -157.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.61 -42.54 67.54 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-N 111.667 -2.515 . . . . 0.0 110.665 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -41.21 90.75 Favored 'General case' 1 C--N 1.231 -4.565 0 CA-C-N 125.922 3.965 . . . . 0.0 110.701 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.692 ' HE3' ' CD2' ' A' ' 21' ' ' LEU . 72.3 mmtt -66.97 -61.46 1.93 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 119.409 3.114 . . . . 0.0 119.409 -165.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.18 12.57 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 128.742 3.068 . . . . 0.0 118.358 -160.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 36.7 m170 -120.97 7.21 10.35 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -110.45 -140.78 0.38 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 -146.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.12 -66.27 0.71 Allowed 'General case' 0 C--O 1.164 -3.41 1 N-CA-C 98.743 -4.54 . . . . 0.0 98.743 126.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -130.59 155.73 46.04 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 125.412 1.695 . . . . 0.0 110.702 -161.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 51.9 tp -126.36 128.38 46.98 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 167.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -116.03 170.41 8.51 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 126.275 1.83 . . . . 0.0 112.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 24.0 pt-20 -81.22 166.69 20.36 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.296 -1.503 . . . . 0.0 112.271 160.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 69' ' ' SER . 76.6 t -103.74 130.79 53.67 Favored 'Isoleucine or valine' 0 C--O 1.265 1.88 0 CA-C-O 113.975 -2.917 . . . . 0.0 116.579 153.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' CZ ' ' OE2' ' A' ' 65' ' ' GLU . 79.8 mtt85 -81.65 59.95 4.39 Favored 'General case' 0 C--O 1.192 -1.938 1 C-N-CA 132.003 4.121 . . . . 0.0 116.083 161.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 66' ' ' VAL . 35.3 m -107.66 26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 1 O-C-N 115.734 -4.354 . . . . 0.0 106.893 123.677 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.571 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 59.3 p -67.82 -35.24 78.25 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.823 2.449 . . . . 0.0 113.24 -176.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -61.74 -41.8 98.13 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.995 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -73.86 -45.84 48.6 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -113.96 -50.8 2.81 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.283 -2.76 . . . . 0.0 108.064 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 63.1 tttp 61.94 25.05 15.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 129.071 2.949 . . . . 0.0 112.084 -172.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -93.22 -16.7 24.52 Favored 'General case' 0 CA--C 1.49 -1.331 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 88.7 m-85 -109.67 118.07 35.58 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 122.168 0.985 . . . . 0.0 109.453 -162.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.544 HD12 ' HG3' ' A' ' 47' ' ' MET . 82.6 mt -107.27 147.39 30.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 124.012 0.925 . . . . 0.0 110.27 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 59.8 t80 -125.25 101.43 6.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.025 -152.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.551 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . 47.9 tt0 -120.08 147.78 44.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 120.436 1.471 . . . . 0.0 107.569 -167.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD23 HG21 ' A' ' 82' ' ' ILE . 3.0 mp -127.33 133.64 50.07 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.563 ' HE2' ' HG ' ' A' ' 24' ' ' LEU . 66.1 m80 -113.17 116.48 29.89 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.864 1.266 . . . . 0.0 108.091 -170.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 30.3 mm 49.27 44.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -168.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 HD23 ' A' ' 79' ' ' LEU 0.279 18.5 tt . . . . . 0 C--O 1.247 0.937 1 CA-C-O 110.53 -4.557 . . . . 0.0 113.916 -170.317 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.53 133.91 47.48 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 171.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm -124.52 21.63 8.52 Favored 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 130.127 3.371 . . . . 0.0 117.186 156.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -86.48 9.59 17.8 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 119.89 -1.756 . . . . 0.0 110.043 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -121.49 160.62 23.83 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 119.739 -1.851 . . . . 0.0 107.349 -169.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 20' ' ' GLU . 87.7 t -137.9 117.22 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 112.094 -2.321 . . . . 0.0 105.833 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 38' ' ' PHE . 94.2 mt -94.95 141.41 28.68 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 123.142 1.448 . . . . 0.0 110.283 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -68.76 148.66 50.02 Favored 'General case' 0 C--O 1.26 1.609 0 C-N-CA 126.704 2.002 . . . . 0.0 113.983 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HE2' ' HD3' ' A' ' 17' ' ' LYS . 64.6 pttt -80.75 -15.95 55.12 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 117.627 -3.17 . . . . 0.0 113.09 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.437 HD21 ' HG3' ' A' ' 40' ' ' PRO . 91.0 m-20 -62.99 -40.49 97.9 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 123.294 2.77 . . . . 0.0 105.308 -169.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -68.51 -38.17 80.67 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 119.378 -0.929 . . . . 0.0 113.271 -167.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -124.23 -20.58 5.22 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 116.093 -1.908 . . . . 0.0 113.065 -172.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 49.87 47.05 23.66 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.528 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.0 -77.53 0.44 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 114.539 -2.864 . . . . 0.0 111.693 157.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -154.55 19.46 0.47 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' HB ' ' A' ' 19' ' ' VAL . . . -66.65 -33.92 76.72 Favored 'General case' 0 C--O 1.197 -1.691 0 O-C-N 119.381 -2.075 . . . . 0.0 112.829 -157.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.56 ' HD3' ' HE2' ' A' ' 9' ' ' LYS . 88.5 tttt -57.56 -44.88 85.58 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.444 1.498 . . . . 0.0 109.909 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -55.07 -39.31 69.12 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.788 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 74.7 t -59.92 -27.76 39.29 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.181 0 O-C-N 126.965 2.665 . . . . 0.0 113.276 -167.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 25.6 tp10 -56.94 -45.32 82.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 117.493 -1.683 . . . . 0.0 113.28 168.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.86 -47.56 85.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 119.819 -1.801 . . . . 0.0 110.705 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.22 -38.85 91.72 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.253 1.021 . . . . 0.0 112.8 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -38.72 89.1 Favored 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 116.718 -1.611 . . . . 0.0 110.951 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 32.6 mt -53.79 -56.12 20.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.136 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 82.2 t80 -63.33 -46.67 85.55 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.322 -174.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -76.3 -40.23 52.08 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.55 -43.13 99.56 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 124.433 1.093 . . . . 0.0 108.985 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.62 ' HE2' HG13 ' A' ' 81' ' ' ILE . 23.5 t80 -60.64 -49.84 75.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -65.65 -40.49 92.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.126 -1.892 . . . . 0.0 111.516 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.31 -51.95 9.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.756 1.285 . . . . 0.0 109.657 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -128.54 157.51 41.0 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 126.268 1.827 . . . . 0.0 107.865 -157.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.97 103.68 11.64 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 162.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -160.13 159.3 31.6 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -139.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.751 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 96.8 p -129.88 155.23 46.36 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.12 -169.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.6 pt -126.31 156.98 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 120.792 1.633 . . . . 0.0 110.48 -174.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 54.7 m-85 -102.78 123.28 46.15 Favored 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 120.639 3.57 . . . . 0.0 120.639 149.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.677 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 54.4 t80 -109.48 98.2 7.63 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 -160.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HB3' HD21 ' A' ' 7' ' ' LEU . 25.3 t80 -95.49 94.42 7.78 Favored 'General case' 0 C--O 1.25 1.093 0 C-N-CA 130.179 3.392 . . . . 0.0 106.826 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.68 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -144.58 142.95 19.96 Favored Pre-proline 0 CA--C 1.496 -1.123 0 C-N-CA 125.784 1.634 . . . . 0.0 113.832 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HG3' HD21 ' A' ' 10' ' ' ASN . 88.8 Cg_endo -68.79 156.34 65.77 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 114.411 -3.26 . . . . 0.0 109.266 -121.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.0 m -67.21 -37.2 83.24 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 125.6 1.812 . . . . 0.0 115.221 161.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.44 -41.7 55.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 127.507 2.323 . . . . 0.0 114.75 -173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.96 -26.89 10.49 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.675 -1.21 . . . . 0.0 112.837 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.593 ' ND1' ' HE2' ' A' ' 73' ' ' LYS . 14.6 t60 61.61 22.35 12.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.042 2.537 . . . . 0.0 112.751 -170.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -97.36 -52.89 3.64 Favored 'General case' 0 CA--C 1.468 -2.199 0 O-C-N 120.901 -1.125 . . . . 0.0 111.599 -157.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 89.3 m-20 -59.34 -35.86 74.64 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 126.478 2.361 . . . . 0.0 109.291 170.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.1 ttm -68.58 -40.91 80.34 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.9 -43.94 94.53 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.6 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 99.2 mttt -63.48 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.465 1.106 . . . . 0.0 112.647 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -56.68 -48.37 77.79 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.3 -43.87 94.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -67.93 -40.17 83.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 118.461 -2.649 . . . . 0.0 114.838 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 7.2 m-30 -61.04 -45.16 95.91 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 121.758 -0.588 . . . . 0.0 112.277 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.634 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.6 m-30 -60.58 -46.03 91.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 -165.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.8 -43.58 98.57 Favored 'General case' 0 CA--C 1.492 -1.286 0 O-C-N 126.465 2.353 . . . . 0.0 110.184 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.01 -42.15 79.81 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.556 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -61.73 -65.81 0.63 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.81 38.2 20.59 Favored Glycine 0 CA--C 1.557 2.666 0 N-CA-C 120.843 3.097 . . . . 0.0 120.843 -156.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HD1' ' A' ' 25' ' ' TYR . 95.6 m-70 -106.3 -34.1 7.57 Favored 'General case' 0 N--CA 1.511 2.59 0 CA-C-N 123.585 3.693 . . . . 0.0 118.088 160.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.1 t -67.46 153.38 43.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.689 1.596 . . . . 0.0 108.243 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.82 -39.88 12.81 Favored 'General case' 0 N--CA 1.426 -1.66 0 O-C-N 120.38 -1.45 . . . . 0.0 108.751 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 78.9 t80 -149.37 152.52 35.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.623 1.827 . . . . 0.0 111.919 -170.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -133.45 137.91 45.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.732 1.213 . . . . 0.0 109.688 169.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 39.6 t0 -145.54 161.19 40.36 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 128.136 2.575 . . . . 0.0 114.921 172.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -72.32 161.73 30.45 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 118.049 -2.907 . . . . 0.0 109.132 168.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.69 HG13 HG22 ' A' ' 68' ' ' VAL . 56.1 t -91.04 133.58 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 150.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.507 HH11 ' HG ' ' A' ' 69' ' ' SER . 30.9 mmt180 -85.21 63.72 8.26 Favored 'General case' 0 C--O 1.198 -1.645 0 O-C-N 119.35 -2.094 . . . . 0.0 114.353 152.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.69 HG22 HG13 ' A' ' 66' ' ' VAL . 19.3 m -99.12 19.17 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.514 -1.991 . . . . 0.0 107.076 128.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.507 ' HG ' HH11 ' A' ' 67' ' ' ARG . 94.1 p -62.19 -48.88 78.09 Favored 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 127.197 2.199 . . . . 0.0 105.934 -170.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -62.51 -39.61 94.09 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.94 -40.12 68.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -131.35 -35.14 1.35 Allowed 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -167.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.667 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 86.0 tttt 59.28 39.57 22.37 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 130.074 3.35 . . . . 0.0 118.589 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -135.07 -7.05 2.34 Favored 'General case' 0 C--N 1.288 -2.074 1 O-C-N 115.322 -4.611 . . . . 0.0 115.707 -167.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 36' ' ' PHE . 40.2 m-85 -101.87 117.51 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 126.0 2.063 . . . . 0.0 114.084 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 56.8 mt -78.58 141.31 38.18 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.61 145.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.759 ' CD2' HD11 ' A' ' 79' ' ' LEU . 25.1 t80 -95.29 98.8 10.86 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 128.332 2.653 . . . . 0.0 108.178 171.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' C ' HD13 ' A' ' 79' ' ' LEU . 84.5 tt0 -119.91 121.33 38.78 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 122.307 2.321 . . . . 0.0 111.391 -174.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.759 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.8 mp -121.37 134.51 55.12 Favored 'General case' 0 CA--C 1.487 -1.453 0 O-C-N 119.159 -2.213 . . . . 0.0 109.541 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 30.2 m170 -113.2 125.24 54.12 Favored 'General case' 0 CA--C 1.481 -1.687 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.031 -160.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.62 HG13 ' HE2' ' A' ' 28' ' ' PHE . 32.5 mm 0.55 98.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -138.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 ' O ' HG21 ' A' ' 82' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 168.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.182 -2.474 1 CA-C-O 111.448 -4.12 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -127.09 161.19 29.03 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 103.755 -2.684 . . . . 0.0 103.755 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.9 mtm -132.45 -58.66 0.93 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 121.574 1.988 . . . . 0.0 113.717 138.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -89.82 -7.61 53.96 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 176.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 36' ' ' PHE . 51.6 tp -113.22 132.54 55.47 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 120.348 1.431 . . . . 0.0 113.093 -163.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 20' ' ' GLU . 61.9 t -105.35 137.39 35.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 171.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.4 mt -107.53 141.39 39.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.74 1.733 . . . . 0.0 106.7 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -55.79 148.32 16.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.601 1.961 . . . . 0.0 111.342 163.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.6 pttt -61.75 -48.05 82.42 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-O 115.87 -2.014 . . . . 0.0 112.243 163.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 86.0 m-20 -71.83 -42.23 67.22 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 121.605 2.002 . . . . 0.0 113.548 -149.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.43 ' OG1' ' HB3' ' A' ' 40' ' ' PRO . 52.8 m -70.81 -46.28 63.1 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 125.357 1.66 . . . . 0.0 111.514 176.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -106.52 -35.78 6.97 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.435 -160.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 89.7 mttt 47.61 33.57 3.07 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 120.917 1.69 . . . . 0.0 113.464 160.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -105.92 -44.63 4.57 Favored 'General case' 0 CA--C 1.496 -1.096 0 C-N-CA 116.643 -2.023 . . . . 0.0 108.388 -168.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -149.53 -9.61 0.31 Allowed 'General case' 0 C--N 1.303 -1.425 1 C-N-CA 132.164 4.186 . . . . 0.0 112.756 163.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.68 -2.8 58.56 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 123.121 1.439 . . . . 0.0 113.82 -137.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.28 142.69 57.61 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.684 3.194 . . . . 0.0 117.524 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.0 p 62.87 11.54 5.09 Favored 'General case' 0 N--CA 1.53 3.55 0 C-N-CA 128.446 2.698 . . . . 0.0 112.24 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.96 -33.44 55.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 O-C-N 124.532 1.145 . . . . 0.0 111.166 -167.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.689 ' HB2' HG11 ' A' ' 6' ' ' VAL . 42.2 tp10 -64.02 -46.85 82.63 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 93.9 mt -59.45 -47.36 85.79 Favored 'General case' 0 C--O 1.184 -2.372 0 O-C-N 120.446 -1.409 . . . . 0.0 108.823 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -65.64 -39.6 91.61 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.344 -2.741 . . . . 0.0 116.172 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.89 -34.63 77.03 Favored 'General case' 0 CA--C 1.475 -1.917 0 O-C-N 125.774 1.921 . . . . 0.0 106.581 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD12 ' HG3' ' A' ' 20' ' ' GLU . 8.2 mp -50.12 -65.63 0.53 Allowed 'General case' 0 C--O 1.187 -2.23 0 CA-C-O 114.833 -2.508 . . . . 0.0 106.595 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.94 -49.93 72.16 Favored 'General case' 0 C--N 1.384 2.105 1 O-C-N 129.97 4.544 . . . . 0.0 110.447 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -83.11 -36.0 25.17 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 117.189 -1.386 . . . . 0.0 113.161 -168.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.65 -38.79 92.44 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 81' ' ' ILE . 46.2 t80 -54.01 -59.88 4.06 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.456 174.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -63.87 -41.79 97.67 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 126.135 2.147 . . . . 0.0 106.653 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -76.2 -39.34 54.94 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 119.418 1.008 . . . . 0.0 112.939 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -153.65 169.33 23.55 Favored 'General case' 0 C--N 1.286 -2.159 0 C-N-CA 125.904 1.682 . . . . 0.0 112.007 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.685 ' HD3' HG22 ' A' ' 81' ' ' ILE . 99.4 mttt -118.81 124.01 46.16 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 118.665 -2.522 . . . . 0.0 116.116 172.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HG2' ' H ' ' A' ' 34' ' ' SER . 44.9 ttp180 -176.39 165.98 2.74 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 118.396 -2.69 . . . . 0.0 112.945 -139.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.581 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 41.2 t -155.9 136.68 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 117.964 -2.96 . . . . 0.0 108.575 -148.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 ' CE1' ' A' ' 80' ' ' HIS . 96.5 mt -140.74 150.84 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.614 -135.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' N ' HG22 ' A' ' 35' ' ' ILE . 78.2 m-85 -113.4 136.37 52.85 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 10.8 t80 -107.36 123.91 49.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 41.3 t80 -107.47 97.85 7.54 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 127.862 2.465 . . . . 0.0 110.404 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.665 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -139.67 149.9 61.27 Favored Pre-proline 0 N--CA 1.441 -0.915 0 C-N-CA 126.793 2.037 . . . . 0.0 114.554 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.577 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -74.85 150.86 39.56 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 116.038 -2.174 . . . . 0.0 116.179 -119.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.7 m -62.3 -48.53 79.44 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.9 -38.68 69.9 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 111.566 -2.561 . . . . 0.0 112.579 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.05 -26.87 9.48 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 118.437 2.754 . . . . 0.0 118.437 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 57.53 34.98 25.3 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.244 2.217 . . . . 0.0 110.137 -171.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -101.23 -54.82 2.69 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.577 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 80.7 m-20 -60.71 -37.11 80.57 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 116.582 -1.675 . . . . 0.0 107.084 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.412 ' HG3' HD12 ' A' ' 76' ' ' LEU . 51.8 ttm -67.45 -43.61 80.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 120.821 1.646 . . . . 0.0 113.605 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.87 -41.34 91.33 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -38.81 92.52 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 118.242 -0.885 . . . . 0.0 113.089 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -42.04 77.99 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.168 0.987 . . . . 0.0 112.709 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.28 -44.44 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 117.796 -1.562 . . . . 0.0 111.884 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.82 -39.44 80.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.21 -41.5 99.15 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.535 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 12.4 m-30 -61.83 -43.97 97.78 Favored 'General case' 0 C--O 1.16 -3.654 0 O-C-N 124.748 1.28 . . . . 0.0 110.964 -166.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.91 -37.48 78.97 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 113.33 -3.224 . . . . 0.0 110.874 175.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.23 -37.03 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 121.503 1.956 . . . . 0.0 109.825 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 21' ' ' LEU . 99.5 mttt -107.28 152.1 24.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 174.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.85 -12.55 84.06 Favored Glycine 0 C--O 1.194 -2.381 0 C-N-CA 130.071 3.7 . . . . 0.0 116.101 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 92.0 m-70 -65.43 -43.49 90.31 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 118.47 -2.782 . . . . 0.0 118.063 -164.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 6.7 t -65.3 161.34 19.72 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.91 -45.59 6.24 Favored 'General case' 0 N--CA 1.44 -0.971 0 O-C-N 120.279 -1.513 . . . . 0.0 109.862 164.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -134.88 157.58 46.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.414 -1.429 . . . . 0.0 112.6 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' CD1' ' OE1' ' A' ' 78' ' ' GLU . 61.8 tp -133.97 131.08 38.56 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.419 1.888 . . . . 0.0 112.987 168.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -138.83 165.78 26.14 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.105 -0.997 . . . . 0.0 112.293 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 21.4 pt-20 -68.17 165.14 18.88 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 165.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 68' ' ' VAL . 98.9 t -105.34 129.84 57.54 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 CA-C-N 118.92 0.782 . . . . 0.0 111.671 156.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 82.7 mtt85 -87.38 58.7 5.11 Favored 'General case' 0 C--O 1.201 -1.482 0 C-N-CA 127.284 2.234 . . . . 0.0 115.166 165.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.631 ' H ' HG11 ' A' ' 66' ' ' VAL . 34.5 m -108.42 22.68 4.05 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.612 0 O-C-N 119.417 -2.052 . . . . 0.0 107.476 132.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 67' ' ' ARG . 5.0 p -66.6 -34.84 78.77 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 128.246 2.618 . . . . 0.0 111.404 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.6 p -57.58 -42.7 83.62 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 121.508 1.958 . . . . 0.0 108.854 170.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.15 -35.41 36.65 Favored 'General case' 0 C--O 1.224 -0.254 1 N-CA-C 122.383 4.216 . . . . 0.0 122.383 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -116.11 -47.14 2.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 126.071 2.107 . . . . 0.0 114.733 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 88.1 tttt 50.73 49.12 21.6 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 126.693 1.997 . . . . 0.0 110.949 -166.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.83 -10.28 8.27 Favored 'General case' 0 CA--C 1.494 -1.208 0 O-C-N 119.935 -1.728 . . . . 0.0 108.13 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 48.5 m-85 -109.74 125.25 52.48 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.593 1.187 . . . . 0.0 112.438 -164.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 95.2 mt -104.38 143.04 33.53 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.035 164.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -111.43 105.67 14.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.134 1.445 . . . . 0.0 107.238 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 19.2 tp10 -98.41 144.46 27.76 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.881 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' HB3' ' HB ' ' A' ' 82' ' ' ILE . 2.7 mp -130.74 120.27 23.58 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 122.386 2.357 . . . . 0.0 108.545 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.635 ' CE1' HD13 ' A' ' 35' ' ' ILE . 58.9 m80 -110.32 125.25 52.97 Favored 'General case' 0 CA--C 1.486 -1.496 0 CA-C-N 123.236 2.744 . . . . 0.0 108.624 -170.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.685 HG22 ' HD3' ' A' ' 32' ' ' LYS . 19.9 mm 26.54 66.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -151.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 10.4 tp . . . . . 1 C--O 1.432 10.698 1 CA-C-O 111.27 -4.205 . . . . 0.0 111.209 173.185 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -104.16 118.57 36.97 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 116.275 -2.17 . . . . 0.0 116.721 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.709 ' O ' ' HG2' ' A' ' 3' ' ' MET . 49.5 ttp -113.2 3.76 16.18 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.686 3.595 . . . . 0.0 117.034 158.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.02 52.31 1.5 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 117.564 -3.21 . . . . 0.0 110.589 -157.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 1.1 pp -139.97 155.01 47.32 Favored 'General case' 0 N--CA 1.406 -2.635 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.637 HG13 ' HE1' ' A' ' 37' ' ' TYR . 92.2 t -126.53 123.64 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 O-C-N 127.127 2.767 . . . . 0.0 111.802 165.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 38' ' ' PHE . 64.2 mt -92.7 146.8 23.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.984 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.781 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . . . -60.57 148.06 39.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.159 2.584 . . . . 0.0 111.422 164.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.676 ' HG2' ' HG2' ' A' ' 13' ' ' LYS . 85.6 tttt -62.72 -49.02 76.7 Favored 'General case' 0 C--O 1.175 -2.816 0 O-C-N 125.621 1.826 . . . . 0.0 111.844 162.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.467 ' HB3' ' HG3' ' A' ' 40' ' ' PRO . 62.3 t-20 -65.48 -45.94 81.72 Favored 'General case' 0 C--N 1.314 -0.976 1 O-C-N 116.15 -4.094 . . . . 0.0 117.053 -140.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m -64.0 -43.87 94.36 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 125.703 1.877 . . . . 0.0 115.393 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -90.45 -50.73 5.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.676 ' HG2' ' HG2' ' A' ' 9' ' ' LYS . 98.6 mttt 55.91 56.09 6.36 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 128.676 2.791 . . . . 0.0 111.463 -174.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -117.2 78.08 1.19 Allowed 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 115.507 -2.477 . . . . 0.0 111.346 137.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 64.52 22.98 12.81 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 128.033 3.778 . . . . 0.0 117.594 153.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' O ' ' HB ' ' A' ' 19' ' ' VAL . . . -69.15 -30.87 69.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 116.95 -3.594 . . . . 0.0 111.924 -178.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HG2' ' HB2' ' A' ' 9' ' ' LYS . 65.3 pttt -88.2 -9.64 52.4 Favored 'General case' 0 N--CA 1.491 1.607 1 O-C-N 116.187 -4.071 . . . . 0.0 116.372 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -60.3 -29.98 69.19 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 119.237 -2.164 . . . . 0.0 112.615 162.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 75.7 t -59.23 -38.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 126.028 1.731 . . . . 0.0 115.263 178.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' CG ' ' HE1' ' A' ' 54' ' ' PHE . 17.4 tp10 -56.67 -48.0 78.58 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-O 124.549 2.119 . . . . 0.0 110.174 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.56 -50.32 74.33 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.972 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.4 -39.36 92.1 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.841 -1.162 . . . . 0.0 111.709 176.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -69.76 -34.86 74.38 Favored 'General case' 0 CA--C 1.47 -2.102 0 O-C-N 126.907 2.63 . . . . 0.0 113.543 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.679 HD21 HG23 ' A' ' 60' ' ' THR . 57.2 mt -54.54 -51.54 64.87 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 117.425 -1.71 . . . . 0.0 111.111 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 78.2 t80 -66.18 -46.66 76.55 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 124.295 1.038 . . . . 0.0 110.011 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -74.82 -39.46 61.65 Favored 'General case' 0 CA--C 1.481 -1.698 0 C-N-CA 118.048 -1.461 . . . . 0.0 114.148 -173.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.96 -42.01 97.41 Favored 'General case' 0 CA--C 1.475 -1.91 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.1 t80 -63.07 -46.73 86.06 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 117.78 -1.568 . . . . 0.0 115.07 -172.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -65.31 -48.49 72.92 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.69 -46.39 79.21 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 118.031 -1.468 . . . . 0.0 108.2 -166.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -148.01 162.9 38.42 Favored 'General case' 0 N--CA 1.412 -2.372 0 C-N-CA 126.634 1.974 . . . . 0.0 113.141 -157.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -120.49 124.32 45.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.663 ' HG2' ' N ' ' A' ' 34' ' ' SER . 38.3 ttm180 -164.79 173.18 12.06 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 125.621 1.568 . . . . 0.0 115.102 -133.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.663 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 83.4 p -154.86 163.6 40.05 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 119.053 -2.28 . . . . 0.0 114.56 172.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.447 HD12 ' HE2' ' A' ' 80' ' ' HIS . 38.7 pt -136.22 152.26 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-O 122.102 0.953 . . . . 0.0 108.991 -163.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.6 m-85 -92.91 147.81 22.54 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 120.406 -1.434 . . . . 0.0 112.034 152.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' HE1' HG13 ' A' ' 6' ' ' VAL . 74.2 t80 -122.27 118.04 27.59 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.922 -1.111 . . . . 0.0 110.063 175.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.655 ' HB3' HD21 ' A' ' 7' ' ' LEU . 67.5 t80 -100.33 96.44 7.44 Favored 'General case' 0 CA--C 1.474 -1.943 0 C-N-CA 127.432 2.293 . . . . 0.0 111.095 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -133.34 142.17 43.25 Favored Pre-proline 0 CA--C 1.485 -1.522 0 CA-C-O 117.599 -1.191 . . . . 0.0 113.272 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.781 ' HD2' ' CB ' ' A' ' 8' ' ' ALA . 22.1 Cg_exo -39.57 144.98 0.27 Allowed 'Trans proline' 0 C--N 1.4 3.252 2 O-C-N 133.274 6.407 . . . . 0.0 126.569 -143.285 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.4 m -66.96 -45.58 77.32 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 117.815 -1.554 . . . . 0.0 108.941 160.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' HB3' ' A' ' 40' ' ' PRO . 16.3 p-10 -78.55 -13.31 59.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 -165.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -120.02 -28.53 5.12 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 159.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 m80 58.44 34.97 24.42 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 128.243 2.617 . . . . 0.0 114.337 -163.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -98.27 -55.01 2.89 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -171.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.01 -36.53 77.42 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 126.655 2.472 . . . . 0.0 107.689 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.467 ' HG3' HD13 ' A' ' 76' ' ' LEU . 63.5 ttp -64.15 -45.48 88.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.87 -42.69 90.05 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 122.667 1.222 . . . . 0.0 111.673 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.24 -35.43 80.4 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 125.518 1.527 . . . . 0.0 112.933 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.63 83.24 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 125.065 1.478 . . . . 0.0 110.508 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.01 -48.0 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 122.042 0.925 . . . . 0.0 108.569 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.05 -44.28 89.57 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.977 1.311 . . . . 0.0 111.566 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.57 -39.11 72.94 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 124.908 1.38 . . . . 0.0 109.085 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.738 ' HD2' HD12 ' A' ' 63' ' ' LEU . 6.9 m-85 -79.44 -32.19 42.69 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 -152.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.04 -44.43 72.69 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.32 -42.54 86.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 119.989 -0.685 . . . . 0.0 112.228 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HB3' ' HD2' ' A' ' 59' ' ' HIS . 98.0 mttt -100.69 145.87 27.9 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 120.525 -1.359 . . . . 0.0 111.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.73 4.34 70.08 Favored Glycine 0 C--O 1.193 -2.434 0 C-N-CA 127.494 2.473 . . . . 0.0 112.918 -166.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.609 ' HD2' ' HB3' ' A' ' 57' ' ' LYS . 94.2 m-70 -91.7 10.54 27.86 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 117.01 -3.641 . . . . 0.0 113.485 -156.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.679 HG23 HD21 ' A' ' 24' ' ' LEU . 61.7 p -111.64 -127.79 0.28 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.557 -156.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.78 -49.99 0.09 Allowed 'General case' 0 CA--C 1.475 -1.921 0 O-C-N 116.428 -3.92 . . . . 0.0 104.029 142.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.569 ' O ' HD23 ' A' ' 79' ' ' LEU . 67.7 m-85 -147.08 165.79 28.87 Favored 'General case' 0 C--N 1.351 0.636 1 O-C-N 129.587 4.304 . . . . 0.0 110.255 166.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.738 HD12 ' HD2' ' A' ' 54' ' ' PHE . 3.7 tt -132.66 144.57 50.42 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 160.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -154.47 159.36 40.97 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 120.049 -1.657 . . . . 0.0 108.098 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.26 156.67 18.08 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 119.402 -2.062 . . . . 0.0 109.213 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.899 HG13 HG23 ' A' ' 68' ' ' VAL . 59.5 t -61.01 144.84 13.27 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 O-C-N 118.188 -2.82 . . . . 0.0 112.466 136.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' N ' HG12 ' A' ' 66' ' ' VAL . 37.2 mmt180 -87.29 66.69 9.3 Favored 'General case' 0 C--O 1.178 -2.708 1 O-C-N 114.981 -4.824 . . . . 0.0 119.988 139.497 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.899 HG23 HG13 ' A' ' 66' ' ' VAL . 35.7 m -107.69 10.21 9.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 117.563 -3.211 . . . . 0.0 106.966 123.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -64.07 -40.11 95.54 Favored 'General case' 0 C--O 1.186 -2.248 0 CA-C-O 123.203 1.477 . . . . 0.0 110.014 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.6 m -59.44 -41.21 89.1 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 119.088 -2.257 . . . . 0.0 111.308 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.38 -43.89 72.59 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 165.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -112.39 -34.15 5.97 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 119.302 3.075 . . . . 0.0 119.302 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 46.89 44.29 14.35 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 130.541 3.536 . . . . 0.0 119.09 -158.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.68 -43.35 6.84 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CE1' ' HD1' ' A' ' 38' ' ' PHE . 50.9 m-85 -109.98 109.04 19.49 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -160.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.467 HD13 ' HG3' ' A' ' 47' ' ' MET . 89.7 mt -89.6 146.27 24.68 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -114.58 122.51 46.74 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -119.08 130.1 55.43 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 120.875 -1.14 . . . . 0.0 111.589 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.621 HD12 ' CG1' ' A' ' 82' ' ' ILE . 2.3 pt? -111.29 130.82 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 118.744 -2.472 . . . . 0.0 107.553 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.526 ' HA ' ' O ' ' A' ' 60' ' ' THR . 11.0 m170 -106.84 118.61 37.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -174.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.567 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 96.8 mt 59.45 -45.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.186 -2.239 0 CA-C-O 115.828 -2.035 . . . . 0.0 108.48 -171.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.621 ' CG1' HD12 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.195 -1.777 0 CA-C-N 125.415 3.734 . . . . 0.0 113.585 -168.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 121.586 0.708 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 62.12 34.74 16.14 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 119.332 3.086 . . . . 0.0 119.332 168.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.642 ' CE ' HH12 ' A' ' 33' ' ' ARG . 24.2 ptm -121.84 8.54 9.96 Favored 'General case' 0 C--O 1.202 -1.436 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 164.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HG2' HH21 ' A' ' 33' ' ' ARG . 98.8 mttt -102.69 29.04 5.58 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 115.556 -2.164 . . . . 0.0 105.959 -155.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' HA ' HG23 ' A' ' 35' ' ' ILE . 1.8 pp -132.58 161.6 33.42 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.096 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.548 HG11 ' CZ ' ' A' ' 37' ' ' TYR . 94.7 t -118.15 137.93 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 127.938 3.274 . . . . 0.0 105.108 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 38' ' ' PHE . 95.2 mt -112.86 147.47 36.92 Favored 'General case' 0 CA--C 1.485 -1.541 0 CA-C-N 120.455 1.479 . . . . 0.0 107.917 168.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -55.44 145.52 22.35 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.093 1.357 . . . . 0.0 110.859 170.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.22 -46.13 85.21 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.72 162.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -61.87 -48.8 78.91 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.089 1.768 . . . . 0.0 115.295 -148.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.423 ' HG1' ' HG3' ' A' ' 12' ' ' ARG . 57.8 p -77.79 -38.15 47.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' NH2' ' CZ ' ' A' ' 38' ' ' PHE . 80.3 mtt85 -106.97 -53.01 2.67 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 120.09 1.314 . . . . 0.0 108.066 -161.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 88.6 tttt 68.39 2.13 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 127.151 2.782 . . . . 0.0 108.936 156.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -62.92 -36.38 83.19 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 116.222 -1.847 . . . . 0.0 115.765 -172.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 39.9 p-10 -146.64 -10.52 0.47 Allowed 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 129.264 3.025 . . . . 0.0 115.323 158.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.72 56.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 124.235 1.969 . . . . 0.0 109.632 -123.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 65.2 pttt -68.44 145.3 54.22 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 131.197 3.799 . . . . 0.0 116.333 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.5 p 63.23 8.17 3.23 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 128.52 2.728 . . . . 0.0 112.727 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 m -69.85 -31.37 47.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.259 -171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.659 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 29.4 tp10 -64.99 -42.46 94.49 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.805 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD23 ' HD2' ' A' ' 57' ' ' LYS . 92.0 mt -60.53 -47.52 85.8 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 121.506 1.957 . . . . 0.0 112.543 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.21 -41.27 98.22 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 113.604 -1.634 . . . . 0.0 111.631 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.82 -35.56 72.55 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 124.934 1.396 . . . . 0.0 112.293 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.577 HD11 ' HG3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -58.19 -53.4 58.7 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.642 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -61.13 -49.62 76.52 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.946 0.899 . . . . 0.0 108.971 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.08 -41.0 59.69 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 115.958 -1.973 . . . . 0.0 113.05 -171.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.594 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 87.6 mt-10 -57.02 -46.35 82.43 Favored 'General case' 0 CA--C 1.462 -2.437 0 CA-C-N 120.444 1.475 . . . . 0.0 110.588 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -57.7 -64.79 0.78 Allowed 'General case' 0 C--O 1.3 3.757 0 O-C-N 126.169 2.168 . . . . 0.0 109.84 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -54.13 -43.81 70.83 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 125.29 1.436 . . . . 0.0 110.7 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.19 -45.35 63.59 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 125.466 1.729 . . . . 0.0 110.159 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -154.11 162.81 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.099 1.759 . . . . 0.0 114.583 -157.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -115.92 113.57 23.48 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 120.012 3.338 . . . . 0.0 120.012 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.642 HH12 ' CE ' ' A' ' 3' ' ' MET . 16.3 ptm180 -167.49 169.72 11.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.502 1.121 . . . . 0.0 110.727 -141.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 72.1 p -137.52 156.98 47.5 Favored 'General case' 0 C--O 1.265 1.886 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.398 -160.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.554 HG23 ' HA ' ' A' ' 5' ' ' LEU . 75.9 mt -131.95 149.6 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 123.162 1.458 . . . . 0.0 110.99 -173.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -100.35 127.25 46.71 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.941 158.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.665 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -97.25 114.73 26.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.835 171.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CZ ' ' NH2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -93.91 97.64 10.51 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 125.361 1.464 . . . . 0.0 109.617 172.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -136.21 147.34 60.03 Favored Pre-proline 0 C--O 1.208 -1.122 0 O-C-N 121.568 -0.708 . . . . 0.0 111.669 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.634 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 92.0 Cg_endo -61.05 150.53 83.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 117.031 1.897 . . . . 0.0 117.031 -131.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.0 m -72.27 -37.2 69.1 Favored 'General case' 0 C--O 1.205 -1.288 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 158.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.85 -43.17 84.32 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 126.257 1.823 . . . . 0.0 113.421 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.95 -22.99 13.04 Favored 'General case' 1 C--O 1.124 -5.526 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -169.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 67.9 -39.24 0.38 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 129.434 3.094 . . . . 0.0 115.336 -145.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.29 -47.89 83.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.353 1.861 . . . . 0.0 113.376 -132.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.634 ' HB2' ' CD ' ' A' ' 40' ' ' PRO . 84.1 m-20 -63.72 -37.27 86.73 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.0 ttp -64.3 -41.37 96.88 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 124.169 0.918 . . . . 0.0 108.927 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.96 -43.37 98.85 Favored 'General case' 0 C--O 1.205 -1.244 0 C-N-CA 123.73 0.812 . . . . 0.0 111.684 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -37.79 87.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.938 1.295 . . . . 0.0 111.944 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.57 90.47 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.64 -44.1 84.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 CA-C-O 124.216 1.96 . . . . 0.0 107.159 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.2 -39.78 78.43 Favored 'General case' 0 CA--C 1.475 -1.904 0 O-C-N 118.958 -2.338 . . . . 0.0 113.965 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -58.8 -40.64 84.66 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.998 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.756 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 21.8 m-85 -74.11 -34.21 63.85 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.64 1.21 . . . . 0.0 109.415 -162.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.07 -35.24 76.31 Favored 'General case' 0 C--O 1.204 -1.329 0 C-N-CA 127.427 2.291 . . . . 0.0 114.34 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.73 -43.39 98.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 120.639 1.563 . . . . 0.0 114.133 168.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.624 ' HD2' HD23 ' A' ' 21' ' ' LEU . 99.3 mttt -121.98 134.41 54.82 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.05 -2.65 62.51 Favored Glycine 0 C--O 1.22 -0.755 0 C-N-CA 130.607 3.956 . . . . 0.0 119.5 -159.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 24' ' ' LEU . 98.2 m-70 -77.63 -38.26 48.33 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-N 123.247 3.523 . . . . 0.0 117.679 -165.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 10.0 t -69.24 151.24 46.53 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 119.002 -2.311 . . . . 0.0 111.162 -177.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' ' 82' ' ' ILE . . . -85.82 -38.51 18.07 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 101.066 -3.679 . . . . 0.0 101.066 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.61 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 53.9 t80 -158.67 158.6 34.08 Favored 'General case' 0 N--CA 1.412 -2.358 0 O-C-N 125.069 1.481 . . . . 0.0 111.541 -175.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.756 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -131.07 130.85 43.74 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.61 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 45.4 t0 -143.88 163.77 32.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 119.754 1.161 . . . . 0.0 111.196 174.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.19 167.54 17.64 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 118.784 -2.447 . . . . 0.0 109.897 170.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 68' ' ' VAL . 33.0 m -70.29 152.98 8.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -92.03 57.35 3.1 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-N 120.822 1.646 . . . . 0.0 113.416 140.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 66' ' ' VAL . 33.3 m -102.7 19.94 3.22 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.55 0 O-C-N 117.095 -3.503 . . . . 0.0 107.781 127.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.01 -39.57 90.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 118.589 -2.569 . . . . 0.0 111.97 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -62.01 -43.03 99.71 Favored 'General case' 0 C--O 1.17 -3.103 0 O-C-N 124.477 1.111 . . . . 0.0 109.408 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -74.29 -43.22 57.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -120.84 -53.46 2.07 Favored 'General case' 0 CA--C 1.472 -2.046 0 O-C-N 126.398 2.311 . . . . 0.0 106.487 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 17.8 tppt? 51.88 47.07 25.5 Favored 'General case' 0 C--O 1.191 -1.977 0 CA-C-O 124.17 1.938 . . . . 0.0 112.209 -171.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -102.94 -31.89 10.02 Favored 'General case' 0 N--CA 1.484 1.269 1 O-C-N 114.847 -4.908 . . . . 0.0 110.881 162.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 48.4 m-85 -112.92 126.18 55.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.092 1.425 . . . . 0.0 109.289 -147.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 84.6 mt -93.67 138.32 32.02 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.63 -2.077 . . . . 0.0 113.807 155.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.2 t80 -106.35 114.4 28.49 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -135.4 124.76 24.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -167.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.9 mp -118.32 137.42 53.09 Favored 'General case' 0 CA--C 1.488 -1.433 0 O-C-N 119.879 -1.763 . . . . 0.0 106.393 -160.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 61.4 m80 -118.63 116.21 26.14 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 118.897 0.771 . . . . 0.0 111.504 -165.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 25.7 mm 46.03 55.23 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -161.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' ' 61' ' ' ALA . 59.1 mt . . . . . 0 C--O 1.298 3.652 0 O-C-N 117.86 -3.025 . . . . 0.0 116.996 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 C--O 1.245 0.818 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -98.6 105.5 17.65 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 103.13 -2.915 . . . . 0.0 103.13 173.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.4 mmm -125.88 32.93 5.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 131.344 3.858 . . . . 0.0 117.369 141.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.623 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.0 mttt -90.8 4.43 51.7 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 117.037 -1.865 . . . . 0.0 106.837 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.623 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 1.3 pp -122.78 156.09 35.21 Favored 'General case' 0 CA--C 1.484 -1.569 0 C-N-CA 116.564 -2.055 . . . . 0.0 110.547 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.522 ' CG1' ' HB3' ' A' ' 20' ' ' GLU . 67.7 t -121.32 146.52 26.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 126.444 2.34 . . . . 0.0 108.276 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 38' ' ' PHE . 96.8 mt -116.5 134.9 54.32 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 119.484 -2.01 . . . . 0.0 105.919 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -56.93 143.86 36.01 Favored 'General case' 0 N--CA 1.411 -2.392 0 C-N-CA 129.856 3.262 . . . . 0.0 107.384 162.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.564 ' HG3' ' HA ' ' A' ' 13' ' ' LYS . 87.7 tttt -62.09 -46.02 90.95 Favored 'General case' 0 CA--C 1.565 1.52 0 O-C-N 127.542 3.026 . . . . 0.0 111.199 165.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.03 -43.69 94.81 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 115.646 -2.422 . . . . 0.0 108.511 -136.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -62.84 -41.05 99.19 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -91.19 -50.54 5.78 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 126.516 2.385 . . . . 0.0 112.958 -171.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 9' ' ' LYS . 98.4 mttt 52.34 48.35 22.81 Favored 'General case' 0 N--CA 1.425 -1.7 0 C-N-CA 130.594 3.558 . . . . 0.0 115.727 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.5 p -89.97 -60.69 1.86 Allowed 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 120.527 3.529 . . . . 0.0 120.527 159.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 47.1 p-10 -149.44 5.24 0.62 Allowed 'General case' 0 C--N 1.286 -2.184 0 O-C-N 116.825 -3.672 . . . . 0.0 118.483 159.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 19' ' ' VAL . . . -68.92 -18.35 64.09 Favored 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 127.83 2.452 . . . . 0.0 112.931 -135.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.698 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 87.4 tttt -63.36 -34.81 78.52 Favored 'General case' 0 C--O 1.17 -3.087 0 CA-C-O 124.169 1.938 . . . . 0.0 114.659 176.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -61.41 -31.31 71.23 Favored 'General case' 0 N--CA 1.421 -1.91 0 O-C-N 119.012 -2.305 . . . . 0.0 109.224 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 94.9 t -58.43 -47.15 88.87 Favored 'Isoleucine or valine' 0 C--N 1.371 1.518 0 O-C-N 126.922 2.639 . . . . 0.0 116.387 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.698 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 23.8 pt-20 -60.82 -46.35 90.89 Favored 'General case' 1 C--O 1.105 -6.525 0 CA-C-O 124.842 2.258 . . . . 0.0 111.87 179.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 96.5 mt -63.72 -44.28 94.07 Favored 'General case' 0 N--CA 1.487 1.407 1 O-C-N 113.567 -5.708 . . . . 0.0 107.854 -176.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -78.39 -33.4 48.84 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.947 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -63.4 -35.23 79.74 Favored 'General case' 0 CA--C 1.463 -2.383 0 O-C-N 120.845 -1.159 . . . . 0.0 108.787 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.725 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.2 mp -65.27 -45.85 82.82 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 117.133 -3.479 . . . . 0.0 108.361 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.474 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 64.0 m-85 -58.96 -50.92 72.25 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -74.91 -43.78 52.36 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 116.836 -1.946 . . . . 0.0 114.348 -159.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 1.003 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 64.0 mt-10 -64.65 -45.12 88.1 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 126.153 2.158 . . . . 0.0 105.625 -172.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.801 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -53.15 -61.2 2.45 Favored 'General case' 1 C--O 1.31 4.289 0 C-N-CA 124.397 1.079 . . . . 0.0 110.8 177.524 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -57.94 -45.81 86.04 Favored 'General case' 0 CA--C 1.487 -1.469 0 O-C-N 126.294 2.246 . . . . 0.0 111.585 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -80.41 -41.11 25.14 Favored 'General case' 0 CA--C 1.483 -1.633 0 O-C-N 126.327 2.267 . . . . 0.0 111.94 -173.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.712 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 6.1 p30 -148.18 171.51 15.8 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.955 -1.09 . . . . 0.0 111.172 -171.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 81' ' ' ILE . 97.5 mttt -119.64 115.81 24.71 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 1.003 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ptm180 -165.3 168.29 17.05 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.701 -1.249 . . . . 0.0 107.837 -137.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.695 ' HB3' HD23 ' A' ' 79' ' ' LEU . 91.1 p -127.83 161.34 29.24 Favored 'General case' 0 C--N 1.275 -2.673 0 O-C-N 119.008 -2.307 . . . . 0.0 105.436 -178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.681 HD13 ' OE1' ' A' ' 78' ' ' GLU . 31.5 pt -133.52 160.31 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 127.774 2.43 . . . . 0.0 112.995 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 26.9 m-85 -107.94 118.23 36.22 Favored 'General case' 0 CA--C 1.481 -1.71 0 C-N-CA 129.894 3.278 . . . . 0.0 106.158 168.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CE1' HG13 ' A' ' 6' ' ' VAL . 7.3 t80 -97.77 126.14 42.96 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' HB2' HD21 ' A' ' 7' ' ' LEU . 93.8 m-85 -106.61 116.61 32.23 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -155.68 140.36 11.97 Favored Pre-proline 0 CA--C 1.485 -1.531 0 O-C-N 126.154 2.159 . . . . 0.0 115.305 -176.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 86.4 Cg_endo -69.14 148.96 70.27 Favored 'Trans proline' 1 CA--C 1.62 4.809 0 C-N-CA 116.51 -1.86 . . . . 0.0 116.888 -119.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 m -63.69 -43.98 95.05 Favored 'General case' 1 C--N 1.439 4.481 0 O-C-N 125.015 1.447 . . . . 0.0 108.317 167.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.4 -43.93 97.66 Favored 'General case' 0 N--CA 1.503 2.213 1 C-N-CA 132.376 4.27 . . . . 0.0 118.537 -170.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.12 -20.01 12.08 Favored 'General case' 0 CA--C 1.481 -1.684 0 N-CA-C 119.581 3.178 . . . . 0.0 119.581 173.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.5 m80 54.27 39.26 30.68 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.879 0.872 . . . . 0.0 112.962 -167.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.57 -50.81 2.83 Favored 'General case' 0 CA--C 1.474 -1.956 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.5 -167.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.701 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 97.7 m-20 -60.69 -37.65 82.34 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 115.303 -2.559 . . . . 0.0 111.368 171.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.76 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.4 ttp -61.81 -43.59 98.54 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 119.107 3.003 . . . . 0.0 119.107 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.53 -40.1 93.45 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.004 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.9 mttt -63.75 -37.13 86.21 Favored 'General case' 0 C--O 1.199 -1.561 0 O-C-N 124.072 0.858 . . . . 0.0 111.941 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.49 89.94 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.16 -49.13 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 99.3 m-20 -64.71 -46.89 80.38 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.312 1.445 . . . . 0.0 111.038 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' HE2' ' HE3' ' A' ' 17' ' ' LYS . 23.1 m-30 -65.51 -44.65 86.32 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 115.188 -2.605 . . . . 0.0 117.512 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' HD22 ' A' ' 24' ' ' LEU . 14.9 m-30 -63.07 -33.56 75.7 Favored 'General case' 0 CA--C 1.477 -1.834 0 O-C-N 128.274 3.484 . . . . 0.0 107.206 -170.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.96 -40.63 78.8 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 98.3 mt-10 -52.75 -28.61 22.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -116.62 150.07 38.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 128.825 2.85 . . . . 0.0 115.913 176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.08 -10.7 86.03 Favored Glycine 0 CA--C 1.491 -1.414 0 O-C-N 126.295 2.247 . . . . 0.0 116.295 -171.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.547 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 99.3 m-70 -62.06 -44.79 95.92 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -170.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.456 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 11.5 t -67.01 153.27 44.07 Favored 'General case' 0 N--CA 1.408 -2.571 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.52 -48.61 5.2 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 128.854 2.862 . . . . 0.0 108.476 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -143.06 148.02 36.01 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' O ' ' A' ' 77' ' ' TYR . 58.4 tp -125.65 143.96 50.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 157.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -150.47 -176.57 5.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 118.685 0.675 . . . . 0.0 109.299 168.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.01 167.37 16.95 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 116.741 -3.725 . . . . 0.0 104.329 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.746 HG12 HG22 ' A' ' 68' ' ' VAL . 94.9 t -93.05 142.02 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.566 139.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' N ' HG13 ' A' ' 66' ' ' VAL . 28.3 mmt180 -84.94 19.14 2.2 Favored 'General case' 1 C--O 1.147 -4.293 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.746 HG22 HG12 ' A' ' 66' ' ' VAL . 22.2 m -82.72 2.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.97 0 O-C-N 118.466 -2.647 . . . . 0.0 104.484 146.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.597 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 98.7 p -64.68 -42.45 95.34 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 101.75 -3.426 . . . . 0.0 101.75 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -60.06 -38.85 84.03 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 124.687 1.242 . . . . 0.0 111.828 -171.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -81.98 -45.37 15.45 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -102.33 -35.72 8.72 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 126.508 2.38 . . . . 0.0 105.032 -167.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 70.1 mmtt 53.92 42.49 31.68 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.844 3.257 . . . . 0.0 118.552 -154.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -94.0 -29.86 15.01 Favored 'General case' 0 N--CA 1.522 3.142 0 C-N-CA 116.555 -2.058 . . . . 0.0 113.758 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -145.7 101.04 3.51 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 118.113 -2.867 . . . . 0.0 103.898 -111.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.76 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 81.1 mt -113.65 135.36 54.01 Favored 'General case' 0 CA--C 1.462 -2.414 0 O-C-N 125.516 1.76 . . . . 0.0 108.361 -164.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.543 ' O ' HD11 ' A' ' 63' ' ' LEU . 65.8 t80 -106.51 107.18 18.06 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.637 1.575 . . . . 0.0 108.825 -172.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.681 ' OE1' HD13 ' A' ' 35' ' ' ILE . 88.1 tt0 -116.36 139.88 49.94 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 125.847 1.659 . . . . 0.0 106.86 -174.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 34' ' ' SER . 21.4 mt -125.74 134.17 51.85 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.658 ' HE2' ' HG ' ' A' ' 24' ' ' LEU . 67.4 m80 -111.08 120.76 43.41 Favored 'General case' 0 CA--C 1.465 -2.309 0 C-N-CA 126.482 1.913 . . . . 0.0 113.991 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 46.2 mm 41.43 53.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 118.98 2.956 . . . . 0.0 118.98 -166.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.556 HD13 HD12 ' A' ' 79' ' ' LEU . 20.2 tt . . . . . 0 N--CA 1.518 2.966 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 -164.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 119.358 -0.353 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -133.2 154.78 50.33 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 162.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.4 mtp -121.77 22.15 10.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 170.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 59.25 36.25 23.65 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.628 ' O ' HD11 ' A' ' 5' ' ' LEU . 3.0 pp -135.1 161.1 36.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 160.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.505 HG13 ' HB2' ' A' ' 20' ' ' GLU . 94.7 t -125.15 120.97 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.577 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -93.96 145.99 24.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 123.519 1.628 . . . . 0.0 108.472 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -71.51 151.78 43.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 124.657 2.17 . . . . 0.0 112.302 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -86.18 -30.93 22.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 111.708 -2.496 . . . . 0.0 113.15 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -63.11 -45.87 89.98 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 122.704 2.502 . . . . 0.0 111.32 -167.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -68.08 -43.94 77.42 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 118.237 -1.385 . . . . 0.0 113.386 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -106.39 -25.27 11.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -156.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.37 41.33 23.2 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.6 p -103.84 -65.15 1.03 Allowed 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 121.672 2.033 . . . . 0.0 112.042 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -169.44 27.8 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.127 1.771 . . . . 0.0 111.712 167.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.58 -27.48 63.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 123.119 1.438 . . . . 0.0 112.571 -155.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -62.32 -46.3 89.33 Favored 'General case' 0 C--O 1.249 1.055 0 O-C-N 119.815 -1.803 . . . . 0.0 114.087 -149.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.4 p -67.22 -16.97 64.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.56 -38.83 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 C-N-CA 125.467 1.507 . . . . 0.0 111.712 -155.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.749 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 49.9 tp10 -64.23 -41.39 97.03 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 117.48 -1.688 . . . . 0.0 111.572 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 57' ' ' LYS . 96.0 mt -60.21 -45.11 94.29 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.445 -1.409 . . . . 0.0 111.927 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -39.33 93.45 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 115.225 -2.321 . . . . 0.0 113.601 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.3 -44.26 95.52 Favored 'General case' 0 CA--C 1.481 -1.679 0 O-C-N 125.135 1.522 . . . . 0.0 107.077 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 80.1 mt -54.61 -57.49 11.21 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 122.507 1.146 . . . . 0.0 109.752 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -66.59 -49.97 64.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.14 -176.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.36 -45.15 85.29 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.294 1.045 . . . . 0.0 110.176 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 97.1 mt-10 -74.82 -37.62 62.27 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 115.291 -2.29 . . . . 0.0 114.611 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.56 -45.14 81.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.95 1.406 . . . . 0.0 108.596 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.9 p -73.59 -40.37 63.93 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.183 -1.573 . . . . 0.0 114.404 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -71.68 -40.68 69.43 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 119.914 1.233 . . . . 0.0 113.189 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.11 165.91 32.4 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 123.219 0.608 . . . . 0.0 111.779 -164.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HG2' HG21 ' A' ' 81' ' ' ILE . 96.1 mttt -118.42 118.48 31.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 118.278 -2.764 . . . . 0.0 114.868 168.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 11.5 ptp180 -160.68 172.38 17.2 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 120.738 -1.226 . . . . 0.0 112.321 -145.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.8 p -136.2 160.11 39.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 119.132 0.878 . . . . 0.0 111.479 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' A' ' 27' ' ' GLU . 95.1 mt -132.71 144.9 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 124.677 2.179 . . . . 0.0 111.585 -168.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -98.2 138.68 35.12 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 120.277 -1.514 . . . . 0.0 111.267 167.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 12.2 t80 -115.37 107.29 15.03 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 4.8 t80 -90.53 101.07 13.81 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -143.6 152.94 57.67 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 172.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 66.5 Cg_endo -67.36 146.18 74.2 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.788 1.659 . . . . 0.0 110.923 -120.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.7 m -61.69 -42.71 99.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 124.174 0.921 . . . . 0.0 108.579 160.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.11 -61.65 1.95 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 117.34 -1.744 . . . . 0.0 107.788 -156.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -66.67 -43.61 84.06 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 73' ' ' LYS . 87.3 m-70 73.2 -14.24 0.63 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.076 2.15 . . . . 0.0 116.096 -151.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.67 -47.44 69.49 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 119.159 -2.213 . . . . 0.0 116.16 -158.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.599 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 83.1 m-20 -64.57 -35.95 82.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.901 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.408 ' H ' ' HD2' ' A' ' 40' ' ' PRO . 63.7 ttp -64.86 -41.17 95.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.529 1.143 . . . . 0.0 110.812 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.19 -40.82 94.74 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.47 -36.63 83.09 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.588 173.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -45.54 81.07 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 119.299 0.954 . . . . 0.0 111.98 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.41 -45.62 78.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.043 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.32 -44.81 86.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.81 -34.95 78.35 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.267 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.749 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.4 m-85 -75.2 -33.9 61.46 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 122.031 -0.418 . . . . 0.0 111.603 -168.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.11 -40.45 94.52 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 125.329 1.452 . . . . 0.0 111.252 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.24 -35.04 76.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.175 0.99 . . . . 0.0 112.522 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.525 ' HD2' HD23 ' A' ' 21' ' ' LEU . 97.1 mttt -121.01 133.31 55.26 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 117.644 -1.17 . . . . 0.0 113.26 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 4.36 68.54 Favored Glycine 0 CA--C 1.557 2.699 0 C-N-CA 130.497 3.903 . . . . 0.0 122.453 -163.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m-70 -79.64 -38.67 33.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 121.459 2.629 . . . . 0.0 117.916 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.9 t -56.68 140.35 47.47 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 120.202 -1.562 . . . . 0.0 112.396 166.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' A' ' 82' ' ' ILE . . . -68.14 -48.24 65.91 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.141 -0.974 . . . . 0.0 110.104 163.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.407 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -158.83 153.21 24.11 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.91 HD13 HD13 ' A' ' 76' ' ' LEU . 4.8 tt -124.8 138.48 54.27 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 120.638 1.563 . . . . 0.0 113.223 164.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.632 ' N ' HD21 ' A' ' 63' ' ' LEU . 6.9 t0 -137.01 168.55 19.38 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 163.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' HB2' HH12 ' A' ' 67' ' ' ARG . 96.4 mt-10 -70.12 172.91 7.24 Favored 'General case' 0 C--O 1.246 0.907 0 O-C-N 120.072 -1.642 . . . . 0.0 111.048 169.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -79.35 162.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 119.06 -2.275 . . . . 0.0 112.644 148.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.529 HH12 ' HB2' ' A' ' 65' ' ' GLU . 65.9 mmt-85 -98.76 52.32 0.99 Allowed 'General case' 0 C--O 1.206 -1.224 0 O-C-N 117.398 -3.314 . . . . 0.0 116.775 149.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -107.16 11.05 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.493 -1.38 . . . . 0.0 109.548 132.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.702 ' HG ' ' N ' ' A' ' 70' ' ' THR . 90.3 p -54.54 -42.54 71.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.702 ' N ' ' HG ' ' A' ' 69' ' ' SER . 23.1 m -65.67 -41.8 92.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.123 -161.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -76.15 -47.05 25.76 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 127.715 3.134 . . . . 0.0 113.554 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -130.07 -10.75 4.26 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 122.946 2.612 . . . . 0.0 116.98 -162.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 96.1 mttt 48.0 40.9 14.13 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -115.32 -34.11 5.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 122.707 2.503 . . . . 0.0 115.875 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 86.8 m-85 -106.45 121.39 44.17 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -171.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.91 HD13 HD13 ' A' ' 63' ' ' LEU . 57.3 mt -77.83 152.76 33.28 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 156.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -110.74 112.38 24.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 124.837 1.255 . . . . 0.0 109.491 157.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -131.36 132.2 44.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 123.01 1.386 . . . . 0.0 111.29 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 82' ' ' ILE . 4.4 mp -117.35 127.4 54.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 119.514 -1.991 . . . . 0.0 108.612 -158.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 17.1 m170 -108.96 119.68 40.28 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 120.347 1.43 . . . . 0.0 108.666 -168.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.44 HG21 ' HG2' ' A' ' 32' ' ' LYS . 20.5 tt 32.62 61.9 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 123.188 1.471 . . . . 0.0 114.448 -164.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 79' ' ' LEU . 21.2 tt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 120.695 3.591 . . . . 0.0 120.695 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 CA--C 1.477 -1.861 0 CA-C-O 117.996 -1.002 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -97.12 111.5 23.7 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -165.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.93 -1.3 17.81 Favored 'General case' 0 CA--C 1.438 -3.343 1 CA-C-O 110.446 -4.597 . . . . 0.0 116.4 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.02 -13.7 38.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.311 2.245 . . . . 0.0 114.333 -168.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 36' ' ' PHE . 96.4 mt -76.2 165.63 24.62 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 123.725 2.966 . . . . 0.0 112.732 173.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.616 HG11 ' HB2' ' A' ' 20' ' ' GLU . 86.3 t -124.51 148.78 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 C-N-CA 128.834 2.854 . . . . 0.0 109.29 142.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 16' ' ' ALA . 93.6 mt -107.92 146.07 32.89 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . . . -60.89 155.58 19.41 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 127.146 2.178 . . . . 0.0 111.463 158.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.523 ' HE3' ' HE2' ' A' ' 17' ' ' LYS . 76.7 tttt -62.8 -44.81 95.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 161.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -36.15 82.1 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.394 1.477 . . . . 0.0 112.005 -156.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 40' ' ' PRO . 41.8 p -101.57 -38.75 7.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 115.777 -2.369 . . . . 0.0 113.443 -173.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 14.9 mmp_? -80.17 -47.09 15.25 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 124.395 1.06 . . . . 0.0 109.076 -175.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -2.99 105.95 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -130.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -102.37 -62.66 1.24 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 143.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -138.48 18.7 2.73 Favored 'General case' 0 C--N 1.295 -1.781 1 O-C-N 113.257 -5.902 . . . . 0.0 116.545 164.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . . . -92.04 0.84 57.47 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 117.466 -3.271 . . . . 0.0 110.91 -139.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' HE2' ' HE3' ' A' ' 9' ' ' LYS . 98.3 mttt -61.04 -40.56 94.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 128.94 2.896 . . . . 0.0 110.922 -165.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 p -103.33 3.63 35.51 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 119.425 3.121 . . . . 0.0 119.425 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.42 -40.6 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -161.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.833 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 37.1 tp10 -64.79 -43.75 92.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 117.756 -1.578 . . . . 0.0 109.347 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.25 -47.35 85.67 Favored 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 118.145 -1.422 . . . . 0.0 111.998 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.69 -40.07 95.97 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.75 -32.52 72.33 Favored 'General case' 0 CA--C 1.476 -1.896 0 O-C-N 124.403 1.064 . . . . 0.0 110.218 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' OE2' ' A' ' 20' ' ' GLU . 53.9 mt -54.68 -54.38 42.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.932 0.873 . . . . 0.0 109.399 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 52.8 t80 -64.87 -47.98 75.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.157 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 59.4 m170 -70.52 -45.43 65.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.429 1.081 . . . . 0.0 113.276 -168.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 99.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 CA--C 1.479 -1.771 0 O-C-N 125.144 1.527 . . . . 0.0 111.13 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.23 -49.18 78.18 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 124.645 1.215 . . . . 0.0 111.391 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -65.61 -41.06 93.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.181 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -87.21 -42.89 12.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -170.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -132.69 159.32 39.98 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 126.982 2.113 . . . . 0.0 109.165 -163.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 97.2 mttt -106.74 129.95 54.54 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 119.136 -2.228 . . . . 0.0 110.091 157.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ttm180 -155.64 158.69 38.74 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.157 -0.964 . . . . 0.0 111.706 -143.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.467 ' HB2' HD22 ' A' ' 79' ' ' LEU . 84.7 p -126.0 164.4 20.92 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.364 161.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 35' ' ' ILE . 47.7 mm -132.3 156.48 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 125.027 1.331 . . . . 0.0 109.437 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.613 ' HB2' HD21 ' A' ' 5' ' ' LEU . 47.2 m-85 -117.49 129.27 55.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.377 1.871 . . . . 0.0 109.005 160.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 89.0 t80 -107.26 107.7 18.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 61.4 t80 -85.28 91.28 8.12 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 127.094 2.158 . . . . 0.0 110.035 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.582 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . . . -141.25 147.06 45.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 O-C-N 119.971 -1.706 . . . . 0.0 114.168 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 72.9 Cg_endo -65.9 149.43 86.43 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 CA-C-O 118.117 -0.868 . . . . 0.0 114.121 -115.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.472 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 9.8 t -68.74 -32.0 71.47 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-O 117.375 -1.298 . . . . 0.0 111.206 166.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -77.91 -38.52 45.42 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 129.502 3.121 . . . . 0.0 117.055 -171.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -121.3 -9.98 9.0 Favored 'General case' 0 C--O 1.182 -2.461 0 CA-C-O 114.636 -2.602 . . . . 0.0 116.708 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 48.27 41.78 16.69 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 130.408 3.483 . . . . 0.0 106.171 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 97.1 mttt -118.0 -43.78 2.74 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.077 1.308 . . . . 0.0 108.875 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.622 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 69.4 m-20 -60.26 -39.08 85.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 117.908 -1.517 . . . . 0.0 110.19 165.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.474 ' CE ' ' HE3' ' A' ' 73' ' ' LYS . 25.4 ptm -67.49 -39.26 85.2 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 117.857 -3.027 . . . . 0.0 115.981 177.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.42 -39.52 94.01 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 119.685 1.13 . . . . 0.0 109.464 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.22 -35.36 80.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.669 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -58.39 -41.83 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.78 -44.13 85.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 O-C-N 124.219 0.95 . . . . 0.0 108.643 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.97 -45.43 93.69 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.47 -39.32 83.3 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.833 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 10.8 m-85 -74.49 -35.6 63.24 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 125.838 1.962 . . . . 0.0 107.749 -161.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.19 -46.34 74.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 128.466 2.707 . . . . 0.0 111.728 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -49.63 -38.94 34.05 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 123.047 2.658 . . . . 0.0 112.859 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 99.1 mttt -99.06 152.6 19.66 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 126.673 2.483 . . . . 0.0 114.822 176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.86 -8.98 87.5 Favored Glycine 0 CA--C 1.527 0.789 0 O-C-N 120.731 -1.23 . . . . 0.0 113.706 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 64.1 m170 -58.16 -34.42 70.29 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -156.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -100.2 139.77 35.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.283 1.833 . . . . 0.0 113.986 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' H ' ' HA ' ' A' ' 80' ' ' HIS . . . -57.06 -47.26 81.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.412 173.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -163.93 164.34 23.32 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 124.272 0.982 . . . . 0.0 111.262 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 46.0 tp -130.17 140.51 50.75 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 163.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.34 173.85 11.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.533 -0.729 . . . . 0.0 109.502 168.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.43 166.83 20.88 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 119.641 -1.912 . . . . 0.0 112.242 165.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' CG1' ' H ' ' A' ' 68' ' ' VAL . 44.6 t -85.58 135.72 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 144.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.594 ' HA ' ' H ' ' A' ' 69' ' ' SER . 78.9 mtt-85 -88.25 65.22 7.97 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 118.02 -2.925 . . . . 0.0 117.326 149.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' H ' ' CG1' ' A' ' 66' ' ' VAL . 32.7 m -95.14 17.5 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 128.777 2.831 . . . . 0.0 110.271 117.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.594 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 80.0 p -62.59 -40.05 95.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 120.053 -1.655 . . . . 0.0 112.032 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.4 p -63.32 -36.64 84.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 121.156 -0.965 . . . . 0.0 108.414 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -75.68 -41.5 53.67 Favored 'General case' 0 C--O 1.206 -1.198 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.89 -49.63 1.6 Allowed 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -165.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 50.8 tptt 65.43 15.72 10.17 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.667 2.387 . . . . 0.0 114.21 172.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.472 ' OD2' ' HB ' ' A' ' 41' ' ' THR . 5.3 m-20 -71.06 -36.42 72.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 162.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HE1' HD23 ' A' ' 5' ' ' LEU . 55.7 m-85 -106.73 115.02 29.48 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 122.379 1.085 . . . . 0.0 113.179 -162.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 80.4 mt -84.4 150.82 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 113.49 -1.686 . . . . 0.0 109.102 158.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -130.66 131.78 45.07 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 118.847 -1.141 . . . . 0.0 113.996 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -137.14 146.41 44.97 Favored 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -152.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' A' ' 34' ' ' SER . 78.9 mt -130.68 134.71 47.17 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 117.626 -1.63 . . . . 0.0 108.465 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.42 ' HA ' ' H ' ' A' ' 61' ' ' ALA . 24.6 m170 -118.1 104.38 10.78 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 32' ' ' LYS . 80.8 mt 77.38 -48.89 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-O 114.404 -2.712 . . . . 0.0 108.078 -172.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 19.7 tt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 114.011 -2.899 . . . . 0.0 112.063 -165.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.199 -1.592 0 CA-C-O 120.664 0.268 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -54.36 -58.72 6.34 Favored 'General case' 0 C--N 1.374 1.656 0 CA-C-O 116.151 -1.881 . . . . 0.0 114.578 -172.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 ttp -131.3 -60.63 0.94 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 122.068 2.213 . . . . 0.0 108.236 162.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HG3' HD13 ' A' ' 5' ' ' LEU . 61.3 pttt -124.62 30.59 5.93 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.394 1.878 . . . . 0.0 114.085 -151.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.621 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.1 mp -121.65 160.75 23.78 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 117.599 -1.641 . . . . 0.0 106.764 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 HD13 ' A' ' 35' ' ' ILE . 80.0 t -126.62 151.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 126.772 2.029 . . . . 0.0 108.757 168.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.658 HD23 ' HD2' ' A' ' 12' ' ' ARG . 74.4 mt -118.37 136.0 54.0 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 124.991 1.316 . . . . 0.0 107.625 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 39' ' ' ALA . . . -73.45 142.32 46.86 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 127.397 2.279 . . . . 0.0 111.955 164.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 pttt -67.16 -27.3 67.18 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 130.759 3.623 . . . . 0.0 115.642 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -88.76 -8.77 53.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 CA-C-N 125.122 3.601 . . . . 0.0 111.85 -168.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -105.51 -66.85 0.95 Allowed 'General case' 0 C--O 1.179 -2.63 0 CA-C-N 125.489 3.768 . . . . 0.0 119.973 162.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.658 ' HD2' HD23 ' A' ' 7' ' ' LEU . 88.8 mtt180 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.376 1.727 1 N-CA-C 121.969 4.062 . . . . 0.0 121.969 168.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 96.8 mttt 54.15 45.82 26.65 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 118.655 2.835 . . . . 0.0 118.655 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 -41.83 9.3 Favored 'General case' 1 C--O 1.134 -4.985 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -158.89 47.28 0.31 Allowed 'General case' 0 C--N 1.396 2.618 0 C-N-CA 130.216 3.406 . . . . 0.0 107.026 148.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.06 -36.56 64.36 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 102.07 -3.307 . . . . 0.0 102.07 -150.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HG2' ' HB3' ' A' ' 9' ' ' LYS . 97.7 mttt -56.75 -41.53 77.73 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 125.16 1.537 . . . . 0.0 107.445 -118.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -77.97 -9.28 59.03 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 -172.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 6' ' ' VAL . 63.6 t -66.1 -40.73 87.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -155.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HB3' HG11 ' A' ' 6' ' ' VAL . 21.7 pt-20 -59.98 -44.58 94.4 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 120.399 -1.438 . . . . 0.0 111.693 174.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD22 ' HZ2' ' A' ' 57' ' ' LYS . 95.9 mt -64.4 -44.73 90.37 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 117.546 -1.662 . . . . 0.0 107.899 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -40.33 84.16 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 58.3 t0 -65.54 -38.17 88.85 Favored 'General case' 0 C--O 1.174 -2.899 0 O-C-N 125.277 1.61 . . . . 0.0 108.222 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 HD23 ' HE2' ' A' ' 80' ' ' HIS . 71.8 mt -57.21 -54.84 42.2 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.053 -1.654 . . . . 0.0 111.462 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.459 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 49.8 t80 -58.86 -52.76 64.34 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.459 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 47.8 m170 -75.68 -36.15 60.15 Favored 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 125.747 1.904 . . . . 0.0 111.063 -167.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.68 ' OE2' ' HB3' ' A' ' 33' ' ' ARG . 79.7 tt0 -65.09 -41.39 95.03 Favored 'General case' 0 CA--C 1.463 -2.397 0 O-C-N 120.542 -1.349 . . . . 0.0 110.177 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -56.66 -51.69 67.79 Favored 'General case' 0 N--CA 1.402 -2.863 0 O-C-N 126.671 2.482 . . . . 0.0 109.029 -179.659 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -66.49 -36.35 82.52 Favored 'General case' 0 C--N 1.39 2.343 0 N-CA-C 118.774 2.879 . . . . 0.0 118.774 -173.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.07 -45.32 58.04 Favored 'General case' 0 C--O 1.187 -2.212 0 C-N-CA 128.218 2.607 . . . . 0.0 112.118 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -158.4 163.96 36.73 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.278 -166.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -108.9 119.38 39.39 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.519 -1.988 . . . . 0.0 114.28 169.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.68 ' HB3' ' OE2' ' A' ' 27' ' ' GLU . 15.0 mtt180 -167.97 169.35 11.38 Favored 'General case' 0 CA--C 1.473 -1.998 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -148.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -134.5 155.37 50.5 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 6' ' ' VAL . 13.4 tt -125.29 153.98 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 C-N-CA 126.134 1.774 . . . . 0.0 108.18 -167.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 84.5 m-85 -107.32 132.02 53.58 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 111.388 -2.642 . . . . 0.0 111.849 157.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.1 t80 -111.61 112.12 23.6 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.064 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . 51.1 t80 -88.57 98.16 11.5 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.092 1.357 . . . . 0.0 109.641 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.658 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . . . -140.2 149.85 59.58 Favored Pre-proline 0 CA--C 1.487 -1.471 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.028 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.2 Cg_endo -69.78 156.16 64.03 Favored 'Trans proline' 0 C--O 1.194 -1.694 0 O-C-N 125.267 2.193 . . . . 0.0 112.569 -123.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.6 m -70.02 -39.62 75.69 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-O 124.434 2.064 . . . . 0.0 111.271 159.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.52 -45.26 72.71 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 130.758 3.623 . . . . 0.0 113.025 -156.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.42 -46.78 4.68 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.349 -2.205 . . . . 0.0 114.282 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 79.73 2.39 2.15 Favored 'General case' 0 C--O 1.192 -1.938 0 C-N-CA 130.511 3.524 . . . . 0.0 115.637 -162.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.42 -53.0 49.39 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 119.918 3.303 . . . . 0.0 119.918 -171.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 75.7 m-20 -63.02 -36.5 83.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 125.601 1.813 . . . . 0.0 109.676 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.402 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 55.6 ttm -65.71 -42.7 90.82 Favored 'General case' 0 N--CA 1.426 -1.639 0 O-C-N 123.684 0.615 . . . . 0.0 112.512 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.16 -43.44 98.26 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 119.381 -0.927 . . . . 0.0 111.208 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.96 -36.09 80.4 Favored 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.81 97.3 Favored 'General case' 0 N--CA 1.409 -2.493 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.41 HG23 HD21 ' A' ' 63' ' ' LEU . 84.0 t -55.49 -46.32 78.79 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.812 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -64.6 -47.35 78.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.115 1.509 . . . . 0.0 112.167 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -55.73 -37.36 68.33 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 121.855 2.116 . . . . 0.0 109.412 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 2.6 m-85 -73.24 -35.68 66.29 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 116.922 -1.911 . . . . 0.0 108.757 -158.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.11 -42.79 88.73 Favored 'General case' 0 C--O 1.187 -2.212 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.926 167.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.97 -25.99 64.05 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.253 -2.78 . . . . 0.0 114.459 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.572 ' HZ2' HD22 ' A' ' 21' ' ' LEU . 98.0 mttt -118.37 149.91 40.41 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.944 2.098 . . . . 0.0 114.027 177.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.01 -12.05 83.59 Favored Glycine 0 C--N 1.396 3.899 0 N-CA-C 117.767 1.867 . . . . 0.0 117.767 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -61.3 -43.27 99.15 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.702 1.239 . . . . 0.0 113.069 -155.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 11.1 t -81.08 148.52 29.62 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.522 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -93.6 -44.85 8.0 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 109.7 175.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.47 ' O ' HD23 ' A' ' 79' ' ' LEU . 93.3 m-85 -135.67 158.17 45.06 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 126.112 2.132 . . . . 0.0 112.594 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 54.8 tp -136.49 137.08 39.97 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.776 -1.203 . . . . 0.0 112.863 164.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.48 160.55 26.34 Favored 'General case' 0 C--N 1.4 2.798 0 C-N-CA 118.484 -1.286 . . . . 0.0 109.902 168.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HA ' HD21 ' A' ' 76' ' ' LEU . 98.6 mt-10 -63.42 151.83 39.93 Favored 'General case' 0 C--O 1.189 -2.13 0 O-C-N 120.46 -1.4 . . . . 0.0 113.953 -176.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.827 HG13 HG23 ' A' ' 68' ' ' VAL . 71.2 t -73.39 138.71 20.76 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.088 0 C-N-CA 115.415 -2.514 . . . . 0.0 109.203 150.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -84.48 60.47 6.06 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 116.505 -3.872 . . . . 0.0 112.148 156.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.827 HG23 HG13 ' A' ' 66' ' ' VAL . 32.6 m -97.57 0.48 10.51 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 CA-C-O 123.322 1.534 . . . . 0.0 111.289 125.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.473 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 60.0 p -60.63 -44.69 96.06 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.6 m -61.0 -41.65 96.93 Favored 'General case' 0 C--O 1.192 -1.96 0 O-C-N 120.404 -1.435 . . . . 0.0 109.558 -171.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -67.48 -40.98 85.29 Favored 'General case' 0 C--O 1.187 -2.208 0 O-C-N 126.972 2.67 . . . . 0.0 117.028 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -155.58 24.7 0.4 Allowed 'General case' 0 C--N 1.38 1.915 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 71.9 mmtt 57.22 39.42 28.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 116.615 -3.803 . . . . 0.0 118.087 150.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -121.47 -54.14 1.98 Allowed 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -162.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 58.0 m-85 -103.05 122.98 45.77 Favored 'General case' 0 C--O 1.264 1.853 0 O-C-N 120.893 -1.13 . . . . 0.0 112.593 -170.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 65' ' ' GLU . 92.4 mt -88.64 140.52 29.37 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 126.008 1.723 . . . . 0.0 112.261 160.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 42.2 t80 -101.57 107.42 18.68 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.534 ' HB3' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -117.4 124.19 48.27 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.189 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.656 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -123.6 137.72 54.69 Favored 'General case' 0 CA--C 1.493 -1.247 0 O-C-N 117.664 -3.147 . . . . 0.0 108.807 -170.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 2.8 m80 -114.08 124.3 51.76 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -159.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 36.5 mm 42.92 48.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.656 ' HB ' HD11 ' A' ' 79' ' ' LEU . 9.2 tp . . . . . 1 C--O 1.125 -5.463 1 O-C-N 115.91 -4.244 . . . . 0.0 112.243 166.785 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 120.829 0.347 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -71.52 136.45 47.53 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 117.407 -1.282 . . . . 0.0 112.4 167.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.1 mtt -112.12 -55.9 2.46 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.032 3.301 . . . . 0.0 114.935 139.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -102.02 9.48 40.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 112.67 -2.059 . . . . 0.0 113.723 -164.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' CD2' ' HE1' ' A' ' 38' ' ' PHE . 5.6 mp -135.85 152.41 51.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 122.324 2.329 . . . . 0.0 105.613 -166.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' CG2' ' OE1' ' A' ' 20' ' ' GLU . 79.5 t -131.82 125.11 54.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-O 122.53 1.157 . . . . 0.0 110.132 -175.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 38' ' ' PHE . 95.4 mt -97.88 149.29 22.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 119.054 -2.279 . . . . 0.0 108.536 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . . . -73.84 145.27 45.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.552 2.741 . . . . 0.0 114.737 167.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.43 -21.09 33.04 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 117.143 -1.823 . . . . 0.0 114.217 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -64.75 -40.85 95.99 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -164.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -73.61 -43.98 58.26 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 120.06 -1.65 . . . . 0.0 115.187 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' NE ' HD13 ' A' ' 7' ' ' LEU . 83.2 mtt85 -99.98 -27.0 13.8 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 124.691 1.244 . . . . 0.0 113.3 -169.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 55.86 43.96 26.7 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 127.657 2.383 . . . . 0.0 114.908 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 t -98.98 -99.52 0.22 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 38.1 p-10 -127.97 9.96 6.39 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 171.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.77 91.23 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 119.175 0.898 . . . . 0.0 110.956 -137.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.36 -34.7 77.2 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -61.37 -16.07 42.66 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.882 1.674 . . . . 0.0 115.066 -174.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.1 -40.8 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 C-N-CA 129.867 3.267 . . . . 0.0 111.509 -172.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.72 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 46.0 tp10 -61.37 -45.44 94.38 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD23 ' HE3' ' A' ' 57' ' ' LYS . 96.2 mt -60.26 -50.63 72.89 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.372 -177.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.35 -40.25 95.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.258 -1.526 . . . . 0.0 114.43 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -33.27 71.71 Favored 'General case' 0 CA--C 1.468 -2.186 0 O-C-N 123.493 0.496 . . . . 0.0 110.946 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD12 ' HG3' ' A' ' 20' ' ' GLU . 4.5 mp -49.48 -60.29 2.98 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.16 0.505 . . . . 0.0 110.293 174.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' ' CE1' ' A' ' 59' ' ' HIS . 56.9 m-85 -63.71 -48.44 77.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.604 -172.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -73.04 -41.4 64.23 Favored 'General case' 0 N--CA 1.401 -2.879 0 O-C-N 125.789 1.931 . . . . 0.0 113.116 -169.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.02 -45.24 93.42 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 124.392 1.077 . . . . 0.0 111.949 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CE2' ' HB ' ' A' ' 81' ' ' ILE . 41.3 t80 -62.26 -47.87 82.41 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 128.761 2.824 . . . . 0.0 112.87 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.1 p -67.05 -44.4 80.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 121.453 -0.78 . . . . 0.0 112.619 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.52 -31.14 20.09 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 124.658 1.224 . . . . 0.0 112.234 -168.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.4 164.87 33.73 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 119.608 1.095 . . . . 0.0 113.609 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' ' CG2' ' A' ' 81' ' ' ILE . 97.4 mttt -107.29 116.08 31.31 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 117.657 -3.152 . . . . 0.0 115.776 163.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HG2' ' H ' ' A' ' 34' ' ' SER . 39.7 ttm180 -162.44 172.83 14.92 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 118.583 -2.573 . . . . 0.0 106.633 -142.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.718 ' HB2' HD22 ' A' ' 79' ' ' LEU . 90.5 p -149.5 154.8 39.34 Favored 'General case' 0 CA--C 1.483 -1.601 0 O-C-N 120.395 -1.44 . . . . 0.0 111.678 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.645 HD13 ' OE2' ' A' ' 20' ' ' GLU . 29.0 pt -136.09 168.13 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 O-C-N 125.674 1.858 . . . . 0.0 112.102 -169.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 29.5 m-85 -116.97 143.75 45.36 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 125.03 1.332 . . . . 0.0 108.413 168.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 5.4 t80 -114.57 118.51 33.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 118.862 -2.399 . . . . 0.0 104.623 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.58 ' HB2' HD21 ' A' ' 7' ' ' LEU . 87.6 m-85 -105.31 95.94 6.17 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . . . -133.55 146.31 59.98 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 129.279 3.032 . . . . 0.0 117.278 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 91.0 Cg_exo -67.01 153.32 78.28 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 115.833 -2.312 . . . . 0.0 115.838 -121.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 92.9 m -65.89 -42.51 90.18 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 123.573 1.654 . . . . 0.0 112.56 163.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -70.26 -41.08 73.94 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 129.028 2.931 . . . . 0.0 116.756 -167.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -104.09 -34.06 8.55 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 171.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 85.0 m-70 61.42 36.5 17.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 118.147 2.647 . . . . 0.0 118.147 -165.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -113.36 -53.46 2.7 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.134 -160.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 82.7 m-20 -60.2 -36.52 77.85 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.584 1.803 . . . . 0.0 106.64 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.539 ' C ' ' SD ' ' A' ' 47' ' ' MET . 12.3 tmm? -66.3 -44.4 83.6 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.68 -40.33 83.27 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 122.045 0.926 . . . . 0.0 110.45 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.8 mttt -64.34 -36.9 85.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.22 75.26 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.416 1.487 . . . . 0.0 112.532 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.27 -47.43 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -67.27 -46.25 74.24 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 19.0 m-30 -60.27 -40.14 89.31 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.575 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.76 ' HD2' ' CD1' ' A' ' 63' ' ' LEU . 6.8 m-30 -75.73 -36.27 59.98 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 100.66 -3.83 . . . . 0.0 100.66 -155.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -45.74 84.72 Favored 'General case' 0 C--O 1.191 -1.991 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.436 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.6 -52.8 63.92 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 114.709 -2.567 . . . . 0.0 109.715 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.635 ' HE3' HD23 ' A' ' 21' ' ' LEU . 73.2 mmtt -54.12 -49.69 68.58 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -170.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.5 -30.84 8.67 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 126.131 1.824 . . . . 0.0 117.39 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 63.3 m80 -71.85 -40.8 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 119.205 3.039 . . . . 0.0 119.205 -167.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.8 t -61.65 153.77 27.07 Favored 'General case' 0 CA--C 1.481 -1.705 0 O-C-N 119.185 -2.197 . . . . 0.0 106.164 168.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.47 -37.55 10.86 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.455 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.4 t80 -160.55 157.33 27.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 127.087 2.742 . . . . 0.0 116.816 -173.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.76 ' CD1' ' HD2' ' A' ' 54' ' ' PHE . 3.0 tt -140.08 140.65 36.14 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.495 -1.378 . . . . 0.0 113.192 168.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.586 ' N ' HD21 ' A' ' 63' ' ' LEU . 8.7 t0 -142.24 176.39 9.01 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.555 1.942 . . . . 0.0 108.192 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.28 167.62 14.65 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 121.176 0.512 . . . . 0.0 110.768 173.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 91.6 t -104.77 146.57 11.83 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 O-C-N 120.929 -1.107 . . . . 0.0 108.904 164.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -91.56 59.43 3.79 Favored 'General case' 0 C--O 1.2 -1.502 0 O-C-N 119.267 -2.146 . . . . 0.0 107.32 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.82 3.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 117.814 -3.054 . . . . 0.0 110.512 124.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.547 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 58.8 m -62.57 -39.43 93.67 Favored 'General case' 0 C--O 1.205 -1.24 0 C-N-CA 124.922 1.289 . . . . 0.0 110.577 177.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.7 m -58.67 -45.43 89.41 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-O 117.071 -1.442 . . . . 0.0 108.741 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.19 -46.86 69.52 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 126.584 1.954 . . . . 0.0 115.92 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -126.1 -8.83 6.52 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 118.633 0.652 . . . . 0.0 112.427 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.547 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 23.7 tptm -7.16 115.62 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.096 0 O-C-N 118.911 -2.368 . . . . 0.0 116.347 -147.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -131.1 7.3 4.64 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 127.233 2.213 . . . . 0.0 114.36 131.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -109.93 104.88 13.86 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.465 0.65 . . . . 0.0 109.736 -145.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 96.4 mt -110.5 142.01 42.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.743 0.817 . . . . 0.0 112.75 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.502 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 64.1 t80 -113.11 104.49 12.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 128.743 2.817 . . . . 0.0 106.032 -171.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.482 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 88.6 tt0 -118.03 138.51 52.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -175.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.718 HD22 ' HB2' ' A' ' 34' ' ' SER . 97.4 mt -122.96 128.12 49.8 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.678 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 94.5 m-70 -108.09 122.0 45.99 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 120.15 1.341 . . . . 0.0 110.665 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.524 ' CG2' ' HG2' ' A' ' 32' ' ' LYS . 19.9 tt 27.04 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -157.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.691 HD13 HD12 ' A' ' 79' ' ' LEU . 19.3 tt . . . . . 0 C--O 1.176 -2.798 1 N-CA-C 121.894 4.035 . . . . 0.0 121.894 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 117.307 -1.33 . . . . 0.0 114.245 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.0 m80 55.87 37.86 29.35 Favored 'General case' 0 N--CA 1.474 0.772 1 C-N-CA 133.905 4.882 . . . . 0.0 120.612 -170.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mtp -126.98 28.06 5.86 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 128.142 2.577 . . . . 0.0 115.836 161.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.1 mttt -105.94 33.85 3.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.794 2.437 . . . . 0.0 108.663 -170.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -130.16 167.8 17.81 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 118.692 -1.203 . . . . 0.0 109.616 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 37' ' ' TYR . 73.1 t -126.59 112.21 28.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 127.874 3.234 . . . . 0.0 113.989 170.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 38' ' ' PHE . 57.3 mt -79.92 140.7 36.59 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.319 -0.863 . . . . 0.0 111.22 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 136.88 58.1 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 128.711 2.804 . . . . 0.0 111.415 167.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HE3' ' HD3' ' A' ' 17' ' ' LYS . 88.4 tttt -59.52 -43.82 93.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.153 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -60.52 -43.09 97.5 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 131.268 3.827 . . . . 0.0 111.846 -155.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p -108.3 -25.34 11.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 117.711 -3.118 . . . . 0.0 112.773 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -101.66 -36.45 8.73 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 123.758 2.981 . . . . 0.0 113.816 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 45.02 55.4 6.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 115.574 -2.155 . . . . 0.0 114.206 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -102.92 -51.54 3.25 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 114.241 -2.983 . . . . 0.0 118.321 167.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -147.17 14.0 1.12 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.192 2.597 . . . . 0.0 113.741 160.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . . . -62.05 -40.32 95.36 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 119.894 -1.754 . . . . 0.0 106.808 -150.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HD3' ' HE3' ' A' ' 9' ' ' LYS . 65.3 pttt -60.15 150.43 29.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -154.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.6 m 66.81 4.43 3.46 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 129.743 3.217 . . . . 0.0 115.19 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 6' ' ' VAL . 13.9 p -62.92 -36.9 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 C-N-CA 127.799 2.44 . . . . 0.0 112.31 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.532 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 52.5 tp10 -63.06 -44.38 95.99 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 116.958 -1.897 . . . . 0.0 110.12 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 21' ' ' LEU . 91.9 mt -62.83 -45.43 92.64 Favored 'General case' 0 N--CA 1.426 -1.625 0 C-N-CA 117.224 -1.79 . . . . 0.0 112.414 -171.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.49 -37.35 86.54 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.805 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.2 -36.36 83.94 Favored 'General case' 0 CA--C 1.479 -1.775 0 O-C-N 125.914 2.009 . . . . 0.0 110.03 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 50.7 mt -57.37 -56.5 21.08 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.52 0.6 . . . . 0.0 110.516 -176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 60.4 t80 -63.93 -45.73 87.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.82 -41.34 44.7 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 117.433 -1.707 . . . . 0.0 111.342 -166.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.267 93.9 mt-10 -56.97 -46.83 81.91 Favored 'General case' 0 CA--C 1.45 -2.882 0 C-N-CA 124.042 0.937 . . . . 0.0 111.248 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.1 t80 -56.43 -52.76 63.47 Favored 'General case' 0 N--CA 1.415 -2.208 0 O-C-N 126.684 2.49 . . . . 0.0 110.802 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.0 p -64.81 -47.89 76.38 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 114.674 -1.148 . . . . 0.0 113.175 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -75.51 -47.54 26.53 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -133.61 154.87 50.55 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -158.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HG2' HD11 ' A' ' 81' ' ' ILE . 98.9 mttt -103.2 124.18 48.13 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.24 -2.314 . . . . 0.0 112.973 163.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.686 ' HG2' ' H ' ' A' ' 34' ' ' SER . 67.7 ttt180 -167.2 176.21 6.92 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 123.056 2.662 . . . . 0.0 116.953 -141.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.686 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 95.0 p -158.86 146.66 17.86 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 117.182 -3.449 . . . . 0.0 110.643 -168.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG13 ' HB3' ' A' ' 78' ' ' GLU . 48.0 pt -135.54 165.12 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 124.091 1.9 . . . . 0.0 115.871 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.636 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 75.0 m-85 -106.35 138.87 41.75 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.212 1.805 . . . . 0.0 110.588 161.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.552 ' CE2' HG11 ' A' ' 6' ' ' VAL . 1.4 t80 -117.34 118.43 32.21 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.16 -1.588 . . . . 0.0 109.353 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.533 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.3 t80 -113.75 86.14 2.34 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 -145.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . . . -148.31 128.6 6.74 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 113.822 -1.536 . . . . 0.0 113.274 -146.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.85 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 98.3 Cg_endo -63.59 142.53 84.42 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 O-C-N 122.916 0.956 . . . . 0.0 111.749 -118.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.1 m -67.94 -40.74 83.22 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 122.216 1.008 . . . . 0.0 110.613 168.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.01 -39.76 72.19 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.931 3.692 . . . . 0.0 117.027 -170.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.97 -23.58 10.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 165.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.526 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 82.9 m-70 66.72 13.56 9.41 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 119.982 1.264 . . . . 0.0 110.759 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.1 tttt -85.72 -50.68 6.99 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 127.328 2.251 . . . . 0.0 111.769 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.85 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 70.6 m-20 -65.03 -35.7 82.02 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 125.948 2.03 . . . . 0.0 108.465 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 ttm -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 118.912 -2.367 . . . . 0.0 115.779 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 44' ' ' HIS . 82.0 mt -60.43 -39.45 87.5 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 123.02 1.391 . . . . 0.0 107.92 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 99.3 mttt -62.39 -40.47 96.57 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.321 -0.862 . . . . 0.0 111.237 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.37 85.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.529 1.131 . . . . 0.0 114.022 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.69 -43.03 82.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -43.16 92.19 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.86 -39.03 83.82 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.608 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 7.6 m-85 -69.8 -32.74 71.37 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.953 2.033 . . . . 0.0 107.158 -160.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.99 -36.07 62.01 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 112.416 -3.659 . . . . 0.0 116.537 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.21 -35.01 74.46 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 122.754 2.525 . . . . 0.0 109.826 172.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' HE3' HD23 ' A' ' 21' ' ' LEU . 72.2 mmtt -98.39 148.17 23.96 Favored 'General case' 0 C--O 1.184 -2.387 0 CA-C-O 112.795 -3.479 . . . . 0.0 112.761 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.11 4.69 74.79 Favored Glycine 0 C--O 1.206 -1.644 0 C-N-CA 128.699 3.047 . . . . 0.0 118.099 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.658 ' CE1' ' HD2' ' A' ' 25' ' ' TYR . 99.2 m-70 -97.96 15.04 25.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 121.519 2.659 . . . . 0.0 116.544 -154.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -99.1 -140.79 0.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.058 1.743 . . . . 0.0 107.358 -156.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' LEU . . . -139.19 -62.94 0.53 Allowed 'General case' 0 C--N 1.295 -1.798 1 N-CA-C 99.792 -4.151 . . . . 0.0 99.792 132.121 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -129.8 152.75 48.96 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -164.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.608 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 53.6 tp -122.9 137.25 55.0 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.744 1.618 . . . . 0.0 114.071 161.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -143.01 173.14 11.81 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 119.711 -1.868 . . . . 0.0 111.08 169.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -77.54 160.08 28.86 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 117.596 -3.19 . . . . 0.0 115.614 164.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.563 HG22 ' HB2' ' A' ' 75' ' ' PHE . 18.4 m -77.1 164.33 3.54 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 150.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.535 ' NH2' ' OG ' ' A' ' 69' ' ' SER . 11.9 mmp_? -97.92 8.45 44.72 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 164.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.0 m -76.64 1.11 2.11 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.733 0 CA-C-N 124.171 3.169 . . . . 0.0 107.784 151.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.535 ' OG ' ' NH2' ' A' ' 67' ' ' ARG . 88.3 p -64.18 -38.6 91.64 Favored 'General case' 0 C--O 1.207 -1.148 0 O-C-N 120.684 -1.26 . . . . 0.0 111.968 177.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -62.67 -37.87 88.1 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 117.868 -1.533 . . . . 0.0 107.532 -173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -81.23 -54.4 5.53 Favored 'General case' 0 C--O 1.173 -2.937 0 O-C-N 126.065 2.103 . . . . 0.0 111.747 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 99.8 mt-10 -123.62 -20.06 5.63 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 117.559 -3.213 . . . . 0.0 111.22 -164.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.526 ' HB3' ' HE1' ' A' ' 44' ' ' HIS . 98.6 mttt 73.09 17.28 4.13 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 161.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 -33.25 11.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.636 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 96.9 m-85 -111.01 123.46 50.23 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 119.559 1.072 . . . . 0.0 113.165 -171.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.505 ' HB3' HD13 ' A' ' 63' ' ' LEU . 96.7 mt -82.46 136.92 34.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.125 2.17 . . . . 0.0 109.556 152.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -100.93 104.36 15.55 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB3' HG13 ' A' ' 35' ' ' ILE . 89.1 tt0 -111.97 128.73 56.25 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.717 -173.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 34' ' ' SER . 91.4 mt -117.43 129.96 56.17 Favored 'General case' 0 CA--C 1.474 -1.947 0 O-C-N 119.879 -1.763 . . . . 0.0 113.161 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.57 ' HE2' ' CD ' ' A' ' 78' ' ' GLU . 31.0 m170 -109.94 125.51 52.92 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.496 HD11 ' HG2' ' A' ' 32' ' ' LYS . 94.3 mt 53.7 44.28 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.692 0.62 . . . . 0.0 112.072 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.556 HD12 HD12 ' A' ' 79' ' ' LEU . 20.6 tt . . . . . 0 CA--C 1.572 1.821 1 CA-C-O 110.462 -4.59 . . . . 0.0 115.076 -169.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 CA--C 1.49 -1.341 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.33 123.42 50.24 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 117.356 -1.737 . . . . 0.0 108.248 165.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.441 ' SD ' HD21 ' A' ' 5' ' ' LEU . 25.9 ptm -133.05 24.38 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 112.293 -2.231 . . . . 0.0 115.932 158.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HB3' HG21 ' A' ' 35' ' ' ILE . 74.7 mmtt 59.13 53.19 5.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 -163.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.3 pp -127.68 166.45 18.09 Favored 'General case' 0 CA--C 1.474 -1.979 0 CA-C-O 114.375 -2.726 . . . . 0.0 109.098 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.0 t -122.53 124.03 69.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 128.339 3.524 . . . . 0.0 111.257 169.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 38' ' ' PHE . 90.8 mt -96.92 143.2 28.02 Favored 'General case' 0 C--O 1.191 -1.991 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 -174.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.92 139.24 58.06 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.253 3.021 . . . . 0.0 116.446 161.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . 87.8 tttt -63.41 -44.27 95.13 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 170.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -64.41 -44.25 91.83 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.186 -164.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -65.95 -43.38 88.12 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 116.268 -2.173 . . . . 0.0 112.685 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -104.85 -34.98 7.89 Favored 'General case' 0 C--O 1.207 -1.155 0 N-CA-C 117.797 2.518 . . . . 0.0 117.797 -161.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.83 45.38 21.69 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 126.924 2.09 . . . . 0.0 112.757 167.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p -91.55 -81.96 0.31 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 117.472 -1.691 . . . . 0.0 115.076 163.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -130.87 2.35 4.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.524 1.929 . . . . 0.0 115.74 165.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.56 -37.48 75.81 Favored 'General case' 0 C--O 1.204 -1.321 0 O-C-N 120.177 -1.577 . . . . 0.0 107.123 -138.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 9' ' ' LYS 0.292 45.1 tttp -75.71 55.57 0.86 Allowed 'General case' 0 CA--C 1.468 -2.21 0 CA-C-O 114.342 -2.742 . . . . 0.0 116.582 -165.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.9 p -122.95 -23.38 5.01 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 129.987 3.315 . . . . 0.0 118.689 150.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.05 -37.08 78.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 127.142 2.177 . . . . 0.0 114.927 -148.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 14.8 pt-20 -57.07 -45.12 83.53 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.267 -0.878 . . . . 0.0 112.032 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.8 mt -66.11 -47.13 75.17 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' CG ' ' CE1' ' A' ' 26' ' ' HIS . 87.1 tt0 -65.33 -38.73 91.03 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 126.185 1.794 . . . . 0.0 114.799 174.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -67.58 -36.7 81.4 Favored 'General case' 0 CA--C 1.491 -1.327 0 O-C-N 124.43 1.081 . . . . 0.0 109.802 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 60' ' ' THR . 77.0 mt -55.83 -57.01 13.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.999 0.818 . . . . 0.0 110.194 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.7 -46.93 88.48 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.431 ' CE1' ' CG ' ' A' ' 22' ' ' GLU . 66.8 m170 -69.78 -46.76 65.04 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -172.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -60.8 -45.69 93.41 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 113.451 -1.704 . . . . 0.0 107.733 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.16 -40.08 86.6 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 116.79 -1.964 . . . . 0.0 111.37 -174.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.3 p -64.14 -42.56 96.75 Favored 'General case' 0 N--CA 1.434 -1.246 0 O-C-N 120.41 -1.431 . . . . 0.0 113.853 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.0 -39.98 19.0 Favored 'General case' 0 N--CA 1.418 -2.038 0 O-C-N 126.713 2.508 . . . . 0.0 113.576 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -141.64 160.82 39.37 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.817 1.247 . . . . 0.0 113.813 -167.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -115.59 113.57 23.76 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 118.26 -2.775 . . . . 0.0 118.464 163.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.663 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 3.5 mmp_? -160.45 177.55 10.45 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 119.702 -1.873 . . . . 0.0 107.495 -135.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.818 ' HB2' HD23 ' A' ' 79' ' ' LEU . 88.5 p -158.43 158.94 35.13 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 119.482 -2.012 . . . . 0.0 108.848 -174.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.814 ' CD1' ' HE1' ' A' ' 37' ' ' TYR . 38.6 pt -140.69 169.9 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-O 123.515 1.626 . . . . 0.0 110.297 -165.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' HB3' ' HD1' ' A' ' 75' ' ' PHE . 31.2 m-85 -117.34 133.53 55.87 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 127.208 2.203 . . . . 0.0 105.813 173.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.814 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 4.9 m-85 -102.4 131.23 49.19 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 118.259 -1.376 . . . . 0.0 108.133 166.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' HB3' HD21 ' A' ' 7' ' ' LEU . 56.3 t80 -109.08 101.87 10.9 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 47' ' ' MET . . . -141.21 152.29 64.07 Favored Pre-proline 0 CA--C 1.484 -1.593 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.1 Cg_endo -63.54 145.6 92.03 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 O-C-N 124.536 1.808 . . . . 0.0 113.344 -128.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 m -68.03 -44.1 77.25 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 116.589 -2.044 . . . . 0.0 111.39 157.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.85 -43.75 71.27 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -164.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.53 -36.71 10.68 Favored 'General case' 0 C--O 1.2 -1.507 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.717 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 80.5 m-70 57.73 39.57 27.11 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 127.301 2.24 . . . . 0.0 109.524 -168.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.309 85.2 tttt -94.52 -55.33 3.19 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 118.702 2.853 . . . . 0.0 118.702 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 94.3 m-20 -61.83 -35.33 77.93 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.322 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 57.2 ttm -65.12 -41.46 94.85 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.68 -42.61 83.98 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.397 1.57 . . . . 0.0 109.646 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.7 mttt -63.55 -38.41 91.01 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.722 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.0 81.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 126.069 2.106 . . . . 0.0 113.676 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.91 -45.44 87.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 125.918 1.687 . . . . 0.0 109.3 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.92 -43.75 91.78 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 125.344 1.458 . . . . 0.0 113.606 173.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 20.9 m-30 -62.84 -37.37 86.55 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 118.377 -0.82 . . . . 0.0 111.214 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.689 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 16.8 m-85 -69.0 -40.07 78.96 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -165.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.62 -38.17 77.11 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.871 1.668 . . . . 0.0 114.603 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.53 -38.83 78.59 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.005 0.815 . . . . 0.0 109.628 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.703 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -116.28 142.17 47.19 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 5.1 77.85 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 125.696 1.617 . . . . 0.0 116.217 -157.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.423 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 69.4 m80 -104.28 22.48 14.74 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 114.799 -2.524 . . . . 0.0 112.829 -136.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.53 HG22 HD21 ' A' ' 24' ' ' LEU . 70.8 p -119.91 -136.49 0.33 Allowed 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 127.567 2.347 . . . . 0.0 108.131 -150.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.57 -59.36 0.33 Allowed 'General case' 0 C--N 1.292 -1.926 0 O-C-N 116.454 -3.903 . . . . 0.0 100.918 141.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -146.0 151.82 38.38 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 127.827 3.204 . . . . 0.0 116.237 -169.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.689 ' CD2' ' HD2' ' A' ' 54' ' ' PHE . 53.7 tp -126.18 130.17 50.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.848 -1.782 . . . . 0.0 111.369 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -136.76 167.67 21.0 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 122.471 1.129 . . . . 0.0 113.748 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.69 166.54 17.13 Favored 'General case' 0 N--CA 1.438 -1.028 0 O-C-N 118.529 -2.607 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.716 ' O ' ' HB2' ' A' ' 69' ' ' SER . 88.2 t -87.01 145.55 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.959 0 C-N-CA 116.017 -2.273 . . . . 0.0 112.53 143.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 37.7 mmt180 -85.33 63.81 8.3 Favored 'General case' 0 C--O 1.198 -1.638 2 O-C-N 113.918 -5.489 . . . . 0.0 115.322 154.418 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.576 ' H ' HG11 ' A' ' 66' ' ' VAL . 26.8 m -109.64 11.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 117.529 -3.232 . . . . 0.0 108.5 138.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.716 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 70.1 m -121.4 13.57 11.05 Favored 'General case' 0 C--O 1.2 -1.509 0 C-N-CA 128.412 2.685 . . . . 0.0 109.996 -152.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -67.36 -60.01 2.94 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 123.09 1.424 . . . . 0.0 109.813 127.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.56 -42.24 87.41 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 127.23 2.212 . . . . 0.0 115.459 -157.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -130.57 -19.73 3.0 Favored 'General case' 0 C--O 1.211 -0.957 0 O-C-N 125.001 1.438 . . . . 0.0 112.518 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' HB3' ' HE1' ' A' ' 44' ' ' HIS . 98.5 mttt 56.51 41.06 29.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 170.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.45 -34.51 7.79 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.589 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 58.9 m-85 -114.13 133.22 55.71 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 118.617 -1.233 . . . . 0.0 111.009 -161.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 37' ' ' TYR . 91.5 mt -106.84 134.28 50.23 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 127.058 2.143 . . . . 0.0 109.897 168.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.697 ' CE2' HD21 ' A' ' 79' ' ' LEU . 67.4 t80 -107.14 109.99 21.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 127.114 2.166 . . . . 0.0 109.339 -167.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 57.8 tt0 -133.76 118.9 18.6 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 109.965 -154.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.818 HD23 ' HB2' ' A' ' 34' ' ' SER . 64.3 mt -119.17 131.53 55.87 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -162.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.449 ' HE2' HD12 ' A' ' 35' ' ' ILE . 12.6 m170 -110.97 122.16 47.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.5 mt 61.62 -41.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 125.037 1.335 . . . . 0.0 107.772 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 82' ' ' ILE . 82.8 mt . . . . . 0 CA--C 1.578 2.044 1 O-C-N 112.102 -6.623 . . . . 0.0 110.372 -158.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HE3' ' HD2' ' A' ' 33' ' ' ARG . 74.1 mmtt . . . . . 0 N--CA 1.444 -0.759 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 pp -137.01 155.24 49.95 Favored 'General case' 0 CA--C 1.468 -2.199 0 C-N-CA 115.427 -2.509 . . . . 0.0 113.357 -170.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.715 HG13 ' CG1' ' A' ' 19' ' ' VAL . 57.7 t -112.31 133.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 127.292 2.87 . . . . 0.0 103.588 -173.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.9 mt -115.39 138.92 50.48 Favored 'General case' 0 C--O 1.16 -3.641 0 CA-C-N 122.105 2.229 . . . . 0.0 107.461 173.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -64.47 143.41 57.93 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 127.5 2.32 . . . . 0.0 112.868 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.935 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -81.03 -20.22 42.19 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 177.067 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -62.02 -40.26 95.08 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 121.139 1.791 . . . . 0.0 110.414 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 CA--C 1.49 -1.351 0 O-C-N 118.384 -2.698 . . . . 0.0 105.884 -167.147 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.715 ' CG1' HG13 ' A' ' 6' ' ' VAL . 7.1 p -62.79 -34.4 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 O-C-N 126.562 2.414 . . . . 0.0 114.558 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.893 ' O ' HD13 ' A' ' 24' ' ' LEU . 15.1 pm0 -62.52 -38.53 90.31 Favored 'General case' 0 C--O 1.199 -1.559 0 O-C-N 119.239 -2.163 . . . . 0.0 106.218 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 89.6 mt -66.61 -44.27 82.56 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 118.36 -2.713 . . . . 0.0 107.291 -164.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.59 -42.19 98.3 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.91 -36.94 82.81 Favored 'General case' 0 CA--C 1.467 -2.24 0 C-N-CA 115.889 -2.324 . . . . 0.0 107.842 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 20' ' ' GLU . 10.9 mp -55.58 -63.66 1.1 Allowed 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 123.559 0.744 . . . . 0.0 112.049 -175.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -59.6 -46.34 89.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -78.48 -39.82 37.21 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 125.619 1.824 . . . . 0.0 114.218 -165.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.53 -42.93 97.5 Favored 'General case' 0 CA--C 1.467 -2.224 0 C-N-CA 126.888 2.075 . . . . 0.0 108.709 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.93 -57.07 13.15 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 127.197 2.199 . . . . 0.0 112.287 178.711 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -61.4 -46.44 90.14 Favored 'General case' 0 CA--C 1.469 -2.144 0 O-C-N 125.542 1.776 . . . . 0.0 108.883 -172.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -71.57 -45.76 61.34 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 127.286 2.866 . . . . 0.0 115.422 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -151.86 152.59 32.8 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 119.691 -1.88 . . . . 0.0 114.811 -166.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HG2' HG21 ' A' ' 81' ' ' ILE . 98.3 mttt -93.73 107.52 19.39 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 117.188 -3.445 . . . . 0.0 113.591 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.8 ' HG3' ' H ' ' A' ' 34' ' ' SER . 24.7 tpp180 -170.07 -178.66 2.92 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 117.591 -3.193 . . . . 0.0 105.974 -135.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.8 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t -166.63 160.99 15.55 Favored 'General case' 0 C--N 1.266 -3.046 1 O-C-N 115.712 -4.367 . . . . 0.0 100.959 -155.415 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.461 HG13 ' HB3' ' A' ' 78' ' ' GLU . 47.4 pt -146.68 171.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 39.3 m-85 -124.1 118.7 27.5 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 1.1 t80 -88.55 114.88 25.62 Favored 'General case' 0 CA--C 1.611 3.322 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 165.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.861 ' HB2' HD23 ' A' ' 7' ' ' LEU . 90.7 m-85 -91.99 97.86 11.21 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 129.181 2.993 . . . . 0.0 111.044 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -139.82 146.12 45.78 Favored Pre-proline 0 C--N 1.296 -1.724 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.243 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -69.7 151.31 69.39 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 115.174 -2.75 . . . . 0.0 111.724 -121.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' GLU . 99.7 m -64.08 -44.87 91.07 Favored 'General case' 0 CA--C 1.466 -2.271 0 O-C-N 126.037 2.085 . . . . 0.0 114.258 163.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -67.65 -45.31 75.67 Favored 'General case' 0 C--O 1.157 -3.8 1 C-N-CA 132.814 4.446 . . . . 0.0 116.183 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -99.41 -35.59 9.86 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 116.742 -3.724 . . . . 0.0 115.418 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.3 m80 65.63 24.7 11.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.151 2.98 . . . . 0.0 110.48 -167.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 97.3 mttt -94.19 -51.35 4.86 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -171.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.642 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 88.2 m-20 -61.04 -37.93 84.36 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 125.213 1.571 . . . . 0.0 106.799 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.735 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.5 ttp -64.46 -44.96 89.41 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.57 -36.57 84.22 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.64 -34.21 77.32 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.67 -44.17 90.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.19 -44.81 96.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.8 -41.93 99.49 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.202 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.81 -43.28 96.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 117.888 0.313 . . . . 0.0 111.343 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.8 ' CD2' HD12 ' A' ' 63' ' ' LEU . 14.2 m-85 -65.62 -37.24 86.01 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 125.474 1.733 . . . . 0.0 110.752 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.55 -45.37 94.14 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.711 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.06 -38.15 85.17 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 116.299 -1.81 . . . . 0.0 113.088 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 59' ' ' HIS . 99.4 mttt -112.93 140.6 47.6 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 125.247 1.592 . . . . 0.0 114.647 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.36 13.94 65.11 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 127.414 2.435 . . . . 0.0 116.111 -162.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 91.7 m-70 -61.37 -25.09 66.94 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 129.18 2.992 . . . . 0.0 106.446 -169.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.7 p -77.87 -149.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 104.247 -2.501 . . . . 0.0 104.247 -135.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.587 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -125.96 -44.61 1.77 Allowed 'General case' 0 C--N 1.285 -2.203 1 O-C-N 113.929 -5.482 . . . . 0.0 110.239 119.701 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -145.75 156.19 43.45 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.883 1.365 . . . . 0.0 113.033 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.6 tt -133.18 137.94 46.38 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 156.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.612 ' N ' HD23 ' A' ' 63' ' ' LEU . 49.5 t0 -150.58 162.14 41.22 Favored 'General case' 0 C--N 1.372 1.567 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.0 166.12 4.92 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 117.69 -3.131 . . . . 0.0 112.353 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 68' ' ' VAL . 99.4 t -97.46 131.36 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 117.964 -1.494 . . . . 0.0 110.874 145.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 69' ' ' SER . 39.6 mmt180 -87.45 57.07 4.22 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.512 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.1 m -97.36 13.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 C-N-CA 127.931 2.493 . . . . 0.0 107.552 131.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 95.0 p -62.34 -46.19 89.81 Favored 'General case' 0 CA--C 1.479 -1.755 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -58.83 -41.64 87.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.625 1.17 . . . . 0.0 108.435 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.26 -42.03 62.98 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 127.073 2.149 . . . . 0.0 116.772 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' THR . 98.3 mt-10 -119.13 -41.82 2.72 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.8 mttt 50.64 31.09 5.4 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 127.984 2.514 . . . . 0.0 114.972 -166.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 75' ' ' PHE . 32.5 p-10 -91.52 -2.42 57.19 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 171.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 1.2 t80 -134.61 108.39 8.03 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 122.522 2.419 . . . . 0.0 108.246 -134.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.735 HD11 ' HG3' ' A' ' 47' ' ' MET . 96.4 mt -109.88 127.65 54.85 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.082 -1.636 . . . . 0.0 111.676 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HB2' HG23 ' A' ' 66' ' ' VAL . 7.9 t80 -101.5 119.71 39.19 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 119.943 -1.723 . . . . 0.0 106.384 -171.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.693 ' C ' HD12 ' A' ' 79' ' ' LEU . 6.5 tm-20 -133.41 123.4 25.25 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.095 -1.628 . . . . 0.0 107.646 -159.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 82' ' ' ILE . 3.6 mp -117.09 133.1 56.42 Favored 'General case' 0 CA--C 1.483 -1.604 0 CA-C-O 116.822 -1.561 . . . . 0.0 110.461 -168.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.471 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 98.5 m-70 -113.37 130.25 56.33 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -169.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.903 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 71.1 mt 41.64 48.5 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.165 0 C-N-CA 115.347 -2.541 . . . . 0.0 116.753 -170.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.858 HD13 HD23 ' A' ' 79' ' ' LEU . 11.2 tp . . . . . 0 C--O 1.167 -3.274 0 O-C-N 118.035 -2.916 . . . . 0.0 113.302 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.589 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 94.8 mttt . . . . . 0 CA--C 1.497 -1.089 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.52 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.7 pp -145.94 154.43 41.91 Favored 'General case' 0 N--CA 1.405 -2.692 0 C-N-CA 117.007 -1.877 . . . . 0.0 112.554 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.955 ' CG2' HD11 ' A' ' 35' ' ' ILE . 53.3 t -125.23 104.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.617 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 38' ' ' PHE . 88.8 mt -71.59 142.39 50.0 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 124.212 1.958 . . . . 0.0 112.622 164.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.82 140.81 57.52 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.49 153.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.8 -48.67 77.43 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 159.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.658 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 98.4 m-20 -63.75 -42.54 97.84 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.23 -0.89 . . . . 0.0 112.896 -152.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 40' ' ' PRO . 34.8 p . . . . . 0 C--O 1.213 -0.835 0 CA-C-N 120.32 1.418 . . . . 0.0 113.806 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.883 ' CG1' HG13 ' A' ' 6' ' ' VAL . 9.5 p -64.55 -35.79 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 C-N-CA 129.007 2.923 . . . . 0.0 109.16 -172.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -46.41 85.01 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.682 HD21 ' HB3' ' A' ' 53' ' ' PHE . 93.0 mt -62.25 -46.97 86.46 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.22 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.89 -40.46 97.61 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' HG22 ' A' ' 19' ' ' VAL . 99.2 m-20 -68.11 -33.02 73.74 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.605 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 83.3 mt -58.03 -51.9 67.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 119.927 1.24 . . . . 0.0 109.029 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -60.64 -44.77 95.99 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.934 0.873 . . . . 0.0 110.104 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -85.48 -36.41 20.58 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 120.003 -1.686 . . . . 0.0 112.928 -169.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.561 ' OE2' ' HD2' ' A' ' 33' ' ' ARG . 48.3 mt-10 -60.29 -42.99 96.63 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.2 t80 -61.17 -48.81 79.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 117.797 0.271 . . . . 0.0 110.728 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -66.07 -41.34 90.9 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.62 -57.38 3.48 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.76 1.266 . . . . 0.0 108.329 -167.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -136.09 156.69 48.34 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 127.008 2.123 . . . . 0.0 114.742 -161.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HE2' HD13 ' A' ' 81' ' ' ILE . 98.4 mttt -108.99 123.74 49.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 116.71 -3.744 . . . . 0.0 113.593 169.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 32.0 ttm180 -166.18 172.57 11.09 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 119.884 -1.76 . . . . 0.0 110.263 -140.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.841 ' HB2' HD23 ' A' ' 79' ' ' LEU . 86.6 p -133.22 159.01 41.43 Favored 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 118.574 -2.579 . . . . 0.0 108.445 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.955 HD11 ' CG2' ' A' ' 6' ' ' VAL . 16.8 tt -123.83 147.68 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.968 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.62 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -101.2 124.01 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 129.0 2.92 . . . . 0.0 112.301 160.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.737 ' CD2' HD12 ' A' ' 76' ' ' LEU . 77.4 t80 -119.17 118.38 31.19 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.155 -1.591 . . . . 0.0 112.282 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 30.3 m-85 -112.48 85.0 2.07 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 127.693 2.397 . . . . 0.0 108.59 -161.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.68 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -132.88 140.39 37.5 Favored Pre-proline 0 CA--C 1.492 -1.262 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.06 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 10' ' ' ASN . 99.8 Cg_exo -60.38 143.96 99.5 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 N-CA-C 115.847 1.441 . . . . 0.0 115.847 -129.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.5 m -64.53 -38.68 91.86 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 123.132 1.444 . . . . 0.0 110.435 166.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -68.47 -40.19 81.11 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.201 1.4 . . . . 0.0 113.006 -167.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.53 -32.1 7.02 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.3 m80 63.09 24.89 14.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.497 2.719 . . . . 0.0 114.194 -170.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -92.0 -56.55 3.03 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 124.58 1.152 . . . . 0.0 113.84 -163.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.488 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 80.5 m-20 -62.2 -35.9 80.28 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.633 174.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.428 ' HA ' ' HE2' ' A' ' 37' ' ' TYR . 63.7 ttp -64.53 -42.93 95.43 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.54 -42.12 91.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.387 0.675 . . . . 0.0 110.549 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.95 -39.74 90.66 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -59.49 -39.91 85.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.826 1.25 . . . . 0.0 112.343 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.68 -44.25 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 121.356 -0.84 . . . . 0.0 111.398 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -63.59 -42.74 98.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.682 ' HB3' HD21 ' A' ' 21' ' ' LEU . 18.3 m-30 -57.53 -40.31 78.51 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 119.043 0.838 . . . . 0.0 112.466 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' HZ ' ' HA ' ' A' ' 62' ' ' TYR . 44.9 t80 -67.88 -42.76 80.74 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 -167.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.61 -44.26 97.32 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.206 -1.816 . . . . 0.0 111.154 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -57.61 -46.36 84.17 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 115.734 -2.079 . . . . 0.0 110.632 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HD2' HD22 ' A' ' 21' ' ' LEU . 98.8 mttt -117.86 142.34 47.42 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 127.939 2.496 . . . . 0.0 115.802 -166.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.51 31.89 7.05 Favored Glycine 0 C--O 1.204 -1.73 0 C-N-CA 129.133 3.254 . . . . 0.0 118.97 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.1 m-70 -96.99 -39.76 9.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.608 2.704 . . . . 0.0 117.014 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 78' ' ' GLU . 82.7 m -63.1 153.19 34.96 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 126.103 2.859 . . . . 0.0 112.667 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.72 -42.2 42.25 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 117.388 -3.32 . . . . 0.0 114.062 166.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' N ' HG22 ' A' ' 60' ' ' THR . 62.9 t80 -157.23 154.41 29.14 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -177.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 62.5 tp -123.09 125.31 44.95 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.573 -0.705 . . . . 0.0 109.579 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 52.4 t0 -142.03 155.94 45.42 Favored 'General case' 0 C--N 1.365 1.251 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 160.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.51 153.2 23.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HB3' ' A' ' 69' ' ' SER . 19.8 m -71.65 159.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 124.611 2.148 . . . . 0.0 107.913 158.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -101.51 8.49 41.95 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.885 2.474 . . . . 0.0 112.905 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' A' ' 66' ' ' VAL . 17.0 m -77.97 -0.47 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.205 147.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.545 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 56.8 p -62.41 -38.29 89.11 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 -171.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 m -62.08 -40.11 94.71 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.742 0.782 . . . . 0.0 111.548 -169.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.84 -56.05 18.27 Favored 'General case' 0 N--CA 1.414 -2.229 0 CA-C-N 112.559 -2.109 . . . . 0.0 115.987 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -125.75 -21.9 4.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 121.417 -0.802 . . . . 0.0 112.715 -153.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 55.02 43.16 30.24 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.2 -46.83 4.5 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.194 -1.402 . . . . 0.0 114.208 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.0 m-85 -109.42 128.6 55.27 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 122.317 1.056 . . . . 0.0 109.316 -152.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' CD2' ' A' ' 37' ' ' TYR . 92.2 mt -96.57 141.62 29.61 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 119.952 -1.718 . . . . 0.0 110.321 161.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CZ ' HD21 ' A' ' 79' ' ' LEU . 2.0 t80 -112.03 101.76 10.03 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.71 ' CG ' HG21 ' A' ' 60' ' ' THR . 86.9 tt0 -114.98 140.99 48.59 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' ' 34' ' ' SER . 96.4 mt -124.38 122.23 37.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 2.3 m-70 -109.47 124.76 51.59 Favored 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 119.319 -2.113 . . . . 0.0 110.123 -157.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.563 HD13 ' HE2' ' A' ' 32' ' ' LYS . 93.9 mt 45.65 -45.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.617 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.742 -155.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 34' ' ' SER . 41.4 pt . . . . . 0 C--O 1.209 -1.048 0 CA-C-N 125.102 3.592 . . . . 0.0 112.734 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 95.5 mttt . . . . . 0 C--O 1.213 -0.828 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.88 HD23 ' HB2' ' A' ' 36' ' ' PHE . 46.9 mt -124.33 149.58 46.42 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.756 HG21 ' OE1' ' A' ' 20' ' ' GLU . 83.6 t -123.42 144.24 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 125.683 1.864 . . . . 0.0 107.394 162.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 38' ' ' PHE . 82.5 mt -108.98 148.41 30.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.974 1.369 . . . . 0.0 109.906 174.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -63.77 158.47 21.7 Favored 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 124.782 1.233 . . . . 0.0 111.732 166.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.857 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -86.17 -26.15 25.3 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 118.852 -2.405 . . . . 0.0 113.464 166.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -64.81 -38.86 92.41 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 123.379 2.809 . . . . 0.0 111.893 -154.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 CA--C 1.5 -0.95 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.392 -168.673 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.97 -40.85 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 125.936 1.694 . . . . 0.0 112.021 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.756 ' OE1' HG21 ' A' ' 6' ' ' VAL . 27.5 tp10 -61.3 -43.41 98.92 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' A' ' 24' ' ' LEU . 77.2 mt -56.76 -48.65 77.38 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.301 -1.499 . . . . 0.0 113.434 -172.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.72 -39.1 90.83 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -68.93 -31.84 71.02 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-N 120.553 1.524 . . . . 0.0 109.197 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 80' ' ' HIS . 43.3 mt -53.18 -57.29 10.97 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 119.041 0.837 . . . . 0.0 109.196 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.87 -50.13 70.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.718 1.247 . . . . 0.0 111.14 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -67.68 -46.76 71.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.512 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.34 -40.75 98.15 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -65.93 -44.13 86.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.963 1.305 . . . . 0.0 112.19 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -78.55 -46.35 19.68 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.166 0.587 . . . . 0.0 110.769 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.68 165.49 27.26 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.627 1.203 . . . . 0.0 112.929 -170.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -114.78 104.3 11.82 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.693 -1.255 . . . . 0.0 113.929 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 35.6 ttm180 -157.21 161.3 39.26 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.711 -0.618 . . . . 0.0 112.352 -142.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 55.3 p -126.17 153.04 45.18 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' LYS . 37.2 mm -114.94 145.71 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 128.892 2.877 . . . . 0.0 110.31 -171.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.88 ' HB2' HD23 ' A' ' 5' ' ' LEU . 62.0 m-85 -108.02 127.93 54.2 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.625 160.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.565 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 71.2 t80 -110.04 112.73 24.91 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -169.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.7 t80 -101.96 105.61 16.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 122.26 1.029 . . . . 0.0 108.758 -172.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -150.8 141.59 14.78 Favored Pre-proline 0 N--CA 1.443 -0.823 0 O-C-N 120.394 -1.441 . . . . 0.0 113.721 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 62.9 Cg_exo -62.47 143.53 93.35 Favored 'Trans proline' 0 N--CA 1.442 -1.545 0 C-N-CA 118.015 -0.857 . . . . 0.0 112.819 -118.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 72' ' ' GLU . 75.1 m -56.12 -41.77 75.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.546 2.117 . . . . 0.0 108.483 164.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.9 -41.08 75.19 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 112.273 -2.239 . . . . 0.0 111.852 -168.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -118.95 -26.42 6.01 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 119.032 -1.067 . . . . 0.0 112.21 -172.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 55.71 32.17 18.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.152 1.381 . . . . 0.0 111.157 -170.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -97.11 -54.11 3.28 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 120.885 -1.135 . . . . 0.0 113.853 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.6 m-20 -59.3 -34.9 72.87 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.705 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 66.3 ttp -71.11 -44.63 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.759 1.223 . . . . 0.0 113.761 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.99 -41.23 97.81 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.66 -35.42 77.92 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -60.19 -41.99 94.11 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -54.35 -42.13 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-O 122.345 1.069 . . . . 0.0 109.442 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.31 -44.12 76.14 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 114.254 -1.339 . . . . 0.0 114.057 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -53.86 -38.84 65.12 Favored 'General case' 0 N--CA 1.428 -1.532 0 O-C-N 124.351 1.032 . . . . 0.0 110.362 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.089 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.8 m-85 -77.18 -35.56 55.75 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-O 122.842 1.306 . . . . 0.0 108.685 -158.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.97 -37.93 82.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 CA-C-O 114.131 -2.842 . . . . 0.0 112.076 168.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.27 -27.1 66.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 122.051 2.205 . . . . 0.0 115.158 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -114.53 143.43 44.99 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.899 -1.126 . . . . 0.0 113.921 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.95 -31.2 80.14 Favored Glycine 0 CA--C 1.552 2.387 0 N-CA-C 119.118 2.407 . . . . 0.0 119.118 -171.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -64.99 -42.42 94.53 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 120.879 2.34 . . . . 0.0 116.953 -147.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.497 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 9.9 t -57.1 146.15 28.58 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.469 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.25 -59.05 2.4 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 169.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.9 ' HB2' HD21 ' A' ' 79' ' ' LEU . 97.4 m-85 -131.65 158.29 41.46 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.035 -172.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.089 HD22 ' HD2' ' A' ' 54' ' ' PHE . 48.6 tp -134.63 128.95 34.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 164.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -140.69 162.42 35.45 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.982 1.313 . . . . 0.0 113.177 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -93.57 144.33 25.48 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 118.335 -2.728 . . . . 0.0 109.63 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 68' ' ' VAL . 60.7 t -84.76 138.93 18.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 120.595 -1.316 . . . . 0.0 110.181 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 26.1 mmm180 -103.57 25.72 9.36 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 120.321 -1.487 . . . . 0.0 114.241 -174.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 66' ' ' VAL . 20.2 m -82.96 22.55 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.519 1.628 . . . . 0.0 109.855 139.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 19.7 p -62.16 -31.23 71.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.889 -1.757 . . . . 0.0 112.724 171.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -60.69 -41.05 94.36 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -77.17 -35.1 56.17 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 114.262 -2.78 . . . . 0.0 118.386 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' THR . 98.1 mt-10 -131.52 -42.37 1.05 Allowed 'General case' 0 N--CA 1.481 1.107 0 O-C-N 126.446 2.341 . . . . 0.0 113.806 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.488 ' H ' ' HA ' ' A' ' 69' ' ' SER . 84.0 tttt 49.92 38.18 15.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.189 1.795 . . . . 0.0 111.651 -172.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -123.83 5.04 8.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.682 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -108.64 124.09 49.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.858 1.208 . . . . 0.0 113.617 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 69.6 mt -88.33 147.26 24.85 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.618 152.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 56.0 t80 -105.45 110.57 22.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.482 1.913 . . . . 0.0 105.855 162.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 74.1 tt0 -114.82 148.32 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD21 ' HB2' ' A' ' 62' ' ' TYR . 1.2 pt? -134.88 136.53 42.46 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.384 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.916 ' NE2' HD23 ' A' ' 24' ' ' LEU . 75.4 m80 -108.16 122.87 47.8 Favored 'General case' 0 CA--C 1.495 -1.154 0 O-C-N 124.5 1.125 . . . . 0.0 109.201 -167.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' ILE . 20.1 tt 20.21 82.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 126.131 2.144 . . . . 0.0 115.088 -156.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 79' ' ' LEU . 20.1 tt . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 124.862 1.265 . . . . 0.0 114.228 165.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.804 ' HA ' HH22 ' A' ' 33' ' ' ARG . 99.4 mttt . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.846 HD23 ' HB2' ' A' ' 36' ' ' PHE . 77.5 mt -125.96 151.04 47.55 Favored 'General case' 0 CA--C 1.475 -1.933 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 1.005 HG21 ' OE1' ' A' ' 20' ' ' GLU . 59.8 t -124.57 142.53 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 O-C-N 125.694 1.871 . . . . 0.0 107.083 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.3 143.0 37.75 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.94 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -57.02 155.21 8.5 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 125.147 1.379 . . . . 0.0 111.125 159.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HE2' ' OD1' ' A' ' 46' ' ' ASP . 65.2 pttt -64.96 -40.89 95.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 119.623 -1.923 . . . . 0.0 113.724 169.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.93 -37.34 81.98 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.488 1.915 . . . . 0.0 109.228 -162.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.441 -0.889 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -157.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 CA--C 1.501 -0.935 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -34.57 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 CA-C-O 116.07 -1.919 . . . . 0.0 114.325 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 1.005 ' OE1' HG21 ' A' ' 6' ' ' VAL . 38.5 tp10 -58.31 -45.36 88.16 Favored 'General case' 1 C--O 1.132 -5.117 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 53' ' ' PHE . 97.2 mt -60.79 -49.12 78.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.78 -37.56 87.16 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 117.779 -1.105 . . . . 0.0 111.109 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.48 -36.27 73.76 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 116.206 -1.854 . . . . 0.0 111.214 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 96.7 mt -49.49 -56.58 9.3 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.02 -52.5 59.2 Favored 'General case' 0 N--CA 1.437 -1.087 0 O-C-N 120.937 -1.102 . . . . 0.0 112.665 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.84 -36.53 56.76 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.329 -0.948 . . . . 0.0 113.221 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.757 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 83.8 mt-10 -64.41 -40.37 95.65 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.9 t80 -61.1 -51.21 70.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.409 1.099 . . . . 0.0 112.898 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.2 p -63.88 -42.53 97.47 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 121.156 -0.965 . . . . 0.0 108.765 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -74.16 -49.35 24.05 Favored 'General case' 0 C--O 1.273 2.292 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -172.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -154.75 160.35 41.26 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 122.001 0.905 . . . . 0.0 113.246 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' A' ' 81' ' ' ILE . 64.4 pttt -106.57 117.26 33.58 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.804 HH22 ' HA ' ' A' ' 4' ' ' LYS . 10.1 ptm180 -160.93 -175.13 4.75 Favored 'General case' 0 CA--C 1.477 -1.831 0 O-C-N 120.451 -1.405 . . . . 0.0 109.672 -144.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.466 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 86.2 p -149.77 164.39 35.42 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.752 HG22 ' NH2' ' A' ' 33' ' ' ARG . 1.4 pp -134.69 164.36 34.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.846 ' HB2' HD23 ' A' ' 5' ' ' LEU . 72.6 m-85 -114.83 124.48 51.85 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.757 -1.11 . . . . 0.0 113.87 157.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -102.1 115.27 30.19 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -172.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 3.6 t80 -93.06 103.28 15.59 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 124.394 1.078 . . . . 0.0 108.849 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -134.84 143.92 48.33 Favored Pre-proline 0 CA--C 1.465 -2.299 0 O-C-N 119.364 -2.085 . . . . 0.0 109.084 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -62.92 152.43 79.13 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 115.678 -2.414 . . . . 0.0 116.941 -129.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 m -68.69 -40.68 79.94 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 161.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.9 -43.72 78.62 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 115.506 -2.188 . . . . 0.0 115.41 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.52 -26.46 11.4 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 122.278 2.308 . . . . 0.0 116.013 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.87 20.73 12.39 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.578 2.351 . . . . 0.0 111.009 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -93.3 -53.17 4.2 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.695 -1.878 . . . . 0.0 112.583 -163.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.94 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 64.2 m-20 -64.2 -35.62 81.41 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 65.0 ttp -61.96 -46.91 87.2 Favored 'General case' 0 CA--C 1.56 1.352 0 O-C-N 124.449 1.093 . . . . 0.0 113.731 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.38 -37.36 86.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.238 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.29 -35.67 81.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.647 -1.221 . . . . 0.0 112.069 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -55.94 -40.17 72.77 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.65 -49.13 46.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 124.292 0.995 . . . . 0.0 111.583 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 98.1 m-20 -75.63 -40.05 56.83 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 116.767 -1.587 . . . . 0.0 109.36 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m-30 -63.78 -37.88 89.03 Favored 'General case' 0 CA--C 1.476 -1.89 0 C-N-CA 118.036 -1.466 . . . . 0.0 110.845 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.951 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.0 m-30 -61.7 -43.46 98.81 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 125.83 1.956 . . . . 0.0 109.991 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.81 -42.65 85.55 Favored 'General case' 0 CA--C 1.48 -1.749 0 C-N-CA 124.131 0.972 . . . . 0.0 112.573 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 95.3 mt-10 -59.71 -29.11 67.89 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-O 125.664 2.65 . . . . 0.0 111.523 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.99 146.1 29.51 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 117.038 -3.539 . . . . 0.0 112.877 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.5 -11.21 85.08 Favored Glycine 1 C--O 1.167 -4.076 0 N-CA-C 120.92 3.128 . . . . 0.0 120.92 -173.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -65.87 -44.22 86.02 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.0 t -67.3 148.46 51.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.12 -45.73 8.51 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 165.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.788 ' HD2' HD13 ' A' ' 79' ' ' LEU . 78.8 t80 -144.25 120.85 11.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -153.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' HD2' ' A' ' 54' ' ' PHE . 63.2 tp -119.19 136.43 54.2 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 172.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.39 171.76 17.54 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.64 162.83 28.98 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.337 -2.102 . . . . 0.0 110.264 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 69' ' ' SER . 18.7 m -80.39 163.87 3.28 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-O 124.045 1.879 . . . . 0.0 108.907 147.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -72.84 -31.32 64.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 129.205 3.002 . . . . 0.0 116.417 167.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 66' ' ' VAL . 30.0 m -62.85 -9.29 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.367 -1.458 . . . . 0.0 111.234 161.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 66.3 m -59.78 -43.08 94.57 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 116.553 -1.689 . . . . 0.0 111.468 171.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -62.15 -38.31 88.52 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 123.068 2.667 . . . . 0.0 109.271 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.53 -42.47 78.41 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -125.21 -26.15 3.7 Favored 'General case' 0 CA--C 1.431 -3.627 0 C-N-CA 117.799 -1.56 . . . . 0.0 112.23 -169.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 45.06 56.4 5.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 O-C-N 119.732 -1.855 . . . . 0.0 115.841 -158.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -92.51 -44.35 8.69 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 148.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' PHE . 28.6 m-85 -110.75 133.3 53.46 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 121.236 1.834 . . . . 0.0 112.814 -150.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.1 mt -100.46 138.57 37.35 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 120.546 -1.346 . . . . 0.0 112.2 160.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 6.4 t80 -93.74 106.26 18.24 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 176.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 79' ' ' LEU . 17.5 tt0 -125.75 127.34 46.02 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.687 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.788 HD13 ' HD2' ' A' ' 62' ' ' TYR . 5.3 mp -119.42 128.33 53.94 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 119.841 -1.787 . . . . 0.0 108.617 -162.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.484 ' O ' ' HB ' ' A' ' 81' ' ' ILE . 63.2 m170 -110.25 124.07 50.94 Favored 'General case' 0 CA--C 1.456 -2.648 0 CA-C-O 114.502 -2.666 . . . . 0.0 108.034 -162.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 80' ' ' HIS . 91.6 mt 59.95 -60.68 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.607 -2.14 . . . . 0.0 107.868 -160.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.5 pt . . . . . 1 C--O 1.337 5.673 1 CA-C-O 108.909 -5.329 . . . . 0.0 104.417 -162.749 . . . . . . . . 2 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HG2' HH21 ' A' ' 33' ' ' ARG . 95.8 mttt . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 119.39 3.107 . . . . 0.0 119.39 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 pp -120.46 159.62 24.78 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 112.377 -3.678 . . . . 0.0 111.455 -172.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 20' ' ' GLU . 97.0 t -108.91 142.54 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 128.694 3.746 . . . . 0.0 110.334 159.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.3 mt -112.83 139.07 48.77 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.563 -1.336 . . . . 0.0 113.478 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -66.84 145.38 55.55 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 121.424 -0.797 . . . . 0.0 112.701 167.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -82.93 -30.63 28.24 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.03 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.91 -43.96 91.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.419 1.009 . . . . 0.0 110.255 -159.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 175.797 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.54 -39.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 125.556 1.542 . . . . 0.0 113.74 -155.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 26.6 pt-20 -57.77 -41.5 82.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 119.283 0.947 . . . . 0.0 112.598 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.3 mt -61.79 -47.15 86.43 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 119.413 -2.055 . . . . 0.0 110.675 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.04 -43.47 98.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 116.555 -1.688 . . . . 0.0 112.648 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -66.87 -36.57 82.61 Favored 'General case' 0 CA--C 1.484 -1.579 0 O-C-N 124.577 1.173 . . . . 0.0 108.892 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.5 mp -64.28 -50.25 68.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 119.765 1.166 . . . . 0.0 107.976 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.04 -48.84 78.88 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.293 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -83.64 -37.78 22.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -168.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 94.7 mt-10 -61.61 -42.19 98.52 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 119.635 -1.916 . . . . 0.0 108.997 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 81' ' ' ILE . 1.3 t80 -59.42 -47.62 84.76 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.232 0.957 . . . . 0.0 111.742 177.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -71.13 -33.31 69.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.01 -46.95 14.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 119.126 0.875 . . . . 0.0 108.762 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -147.68 166.36 27.69 Favored 'General case' 0 CA--C 1.558 1.271 0 O-C-N 121.86 -0.525 . . . . 0.0 111.733 -154.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 81' ' ' ILE . 83.4 mttt -126.47 115.95 20.37 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 118.31 -2.744 . . . . 0.0 115.366 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 4' ' ' LYS . 17.1 ptm180 -168.71 172.84 7.64 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.315 -137.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -135.17 172.01 13.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 120.006 1.276 . . . . 0.0 108.342 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.722 HD11 ' OE1' ' A' ' 78' ' ' GLU . 44.5 pt -142.16 165.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-O 122.998 1.38 . . . . 0.0 109.194 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' HB2' ' HE1' ' A' ' 38' ' ' PHE . 50.9 m-85 -112.58 148.08 35.3 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.436 -1.256 . . . . 0.0 107.817 162.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.807 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -119.36 123.81 45.06 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 177.377 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' HB2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -106.02 89.75 3.16 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 127.4 2.28 . . . . 0.0 106.75 -177.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.807 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -134.4 144.9 53.04 Favored Pre-proline 0 C--O 1.204 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 112.589 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 59.8 Cg_exo -60.39 149.15 87.67 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 CA-C-O 115.889 -1.796 . . . . 0.0 115.495 -122.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -64.88 -47.12 78.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 116.828 -1.949 . . . . 0.0 111.507 155.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -70.07 -38.1 75.64 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 125.09 1.356 . . . . 0.0 111.559 -160.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.73 -38.76 10.2 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.1 m80 53.32 36.03 21.78 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 128.821 2.849 . . . . 0.0 112.562 -165.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -101.22 -57.3 2.12 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.313 -167.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.7 m-20 -67.18 -36.14 81.13 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.658 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.8 ttp -64.09 -41.68 97.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.618 0.644 . . . . 0.0 111.631 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -43.83 90.43 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.894 0.878 . . . . 0.0 110.428 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.17 -35.3 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -61.75 -38.84 89.45 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.339 1.025 . . . . 0.0 113.346 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.09 -46.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.999 0.904 . . . . 0.0 109.656 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.0 -43.0 89.02 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.76 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.31 -38.26 90.41 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD13 ' A' ' 63' ' ' LEU . 20.5 m-30 -64.83 -35.05 79.85 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 122.872 1.32 . . . . 0.0 111.559 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.42 -34.84 58.79 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 116.267 -1.825 . . . . 0.0 114.796 169.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.45 -32.01 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 121.253 1.842 . . . . 0.0 111.426 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.952 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.4 mttt -125.06 140.84 52.54 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.84 -16.3 70.61 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 118.481 2.153 . . . . 0.0 118.481 -155.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 96.3 m-70 -77.28 -29.13 53.66 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 117.167 -3.549 . . . . 0.0 117.147 -157.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -64.1 145.63 55.59 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 120.749 -1.219 . . . . 0.0 109.083 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 1.069 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -73.44 -38.14 65.61 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 121.273 -0.892 . . . . 0.0 110.014 167.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -163.14 164.68 25.19 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.855 1.347 . . . . 0.0 113.33 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.045 HD13 ' HD2' ' A' ' 54' ' ' PHE . 2.5 pt? -134.87 148.06 50.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.106 -0.996 . . . . 0.0 112.134 163.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -161.17 161.11 30.88 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.85 158.81 12.31 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.158 -0.964 . . . . 0.0 113.237 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.747 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.2 t -81.29 134.8 26.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 C-N-CA 116.097 -2.241 . . . . 0.0 109.809 151.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.479 ' HA ' ' H ' ' A' ' 69' ' ' SER . 93.2 mtt-85 -84.47 66.19 9.33 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 118.703 -2.498 . . . . 0.0 114.284 158.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.747 ' H ' HG12 ' A' ' 66' ' ' VAL . 28.6 m -97.61 9.48 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 128.825 2.85 . . . . 0.0 111.522 119.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.479 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 79.7 p -63.99 -43.24 96.31 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.0 p -57.54 -38.62 75.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -169.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -82.43 -41.7 19.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 127.7 3.125 . . . . 0.0 116.521 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -123.25 -27.23 4.17 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 119.471 1.032 . . . . 0.0 112.953 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.9 mttt 44.66 51.57 8.11 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -102.51 -36.41 8.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.447 -1.408 . . . . 0.0 112.068 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 27.0 m-85 -122.41 120.85 35.17 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 -140.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.5 mt -95.31 152.81 18.05 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.07 110.83 21.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.823 1.649 . . . . 0.0 109.421 167.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' A' ' 35' ' ' ILE . 83.6 tt0 -111.36 133.87 53.36 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.665 -0.647 . . . . 0.0 109.38 -175.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.914 HD22 HD12 ' A' ' 82' ' ' ILE . 2.2 mp -116.38 124.31 49.75 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 120.145 -1.597 . . . . 0.0 108.757 -174.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -107.23 121.88 45.43 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -168.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 81' ' ' ILE . 84.7 mt 45.8 53.24 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 O-C-N 125.097 1.498 . . . . 0.0 112.116 -163.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.069 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.9 tt . . . . . 0 C--O 1.208 -1.113 1 O-C-N 115.72 -4.363 . . . . 0.0 116.559 164.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.1 mttt . . . . . 0 C--O 1.24 0.562 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 4' ' ' LYS . 2.9 mp -127.39 151.68 48.49 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 20' ' ' GLU . 85.6 t -124.57 130.42 73.49 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 159.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 7' ' ' LEU . 5.5 mp -96.83 151.33 19.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.973 0.909 . . . . 0.0 112.01 170.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.698 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -67.91 142.04 56.17 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 130.668 3.587 . . . . 0.0 114.559 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.16 -41.42 98.29 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.996 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -67.65 -45.49 75.15 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 116.199 -1.858 . . . . 0.0 114.973 -170.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.492 HG23 ' HB3' ' A' ' 40' ' ' PRO . 39.9 p . . . . . 0 C--N 1.288 -2.088 0 CA-C-N 120.716 1.598 . . . . 0.0 112.828 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.06 -37.98 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -155.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.619 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 34.9 tp10 -62.42 -45.85 91.22 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.319 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 77.0 mt -61.36 -53.78 52.25 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-O 114.09 -2.862 . . . . 0.0 108.304 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.36 -43.75 98.35 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 122.567 2.44 . . . . 0.0 112.144 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 55.2 t0 -64.92 -38.45 91.02 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 128.604 3.69 . . . . 0.0 107.844 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 14.2 mt -49.6 -61.51 2.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 123.869 1.795 . . . . 0.0 111.83 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 59' ' ' HIS . 73.1 t80 -66.02 -43.76 86.73 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.963 -1.085 . . . . 0.0 110.126 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -73.3 -42.47 62.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 119.594 -1.941 . . . . 0.0 114.323 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 34.2 tt0 -61.66 -44.55 96.75 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 115.073 -2.394 . . . . 0.0 105.777 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HD1' ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.77 -35.12 72.46 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 115.973 -2.291 . . . . 0.0 113.724 -177.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.4 p -65.44 -46.74 78.69 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-O 115.944 -1.979 . . . . 0.0 110.941 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -81.56 -41.15 22.01 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 125.694 1.871 . . . . 0.0 113.298 -165.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -159.74 149.07 18.01 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-O 125.039 2.352 . . . . 0.0 114.905 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 81' ' ' ILE . 96.9 mttt -102.48 116.22 32.17 Favored 'General case' 0 C--O 1.302 3.86 1 O-C-N 115.207 -4.683 . . . . 0.0 112.254 -170.105 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -175.82 166.52 3.09 Favored 'General case' 0 C--N 1.25 -3.744 0 CA-C-N 123.356 2.798 . . . . 0.0 108.336 -134.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.622 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 91.6 p -144.19 155.57 43.95 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 125.091 1.357 . . . . 0.0 110.107 -168.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.605 HD11 ' OE1' ' A' ' 78' ' ' GLU . 47.9 pt -131.31 149.15 32.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.593 1.187 . . . . 0.0 109.726 -169.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 92.2 m-85 -93.9 152.67 18.7 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-O 123.204 1.478 . . . . 0.0 108.41 148.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 16.6 t80 -123.4 112.4 17.51 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.85 1.26 . . . . 0.0 107.829 173.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 43.4 t80 -93.54 94.09 8.45 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 125.623 1.569 . . . . 0.0 111.847 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -135.25 143.2 44.63 Favored Pre-proline 0 C--O 1.206 -1.207 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.492 ' HB3' HG23 ' A' ' 11' ' ' THR . 73.3 Cg_endo -64.96 152.17 83.27 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 115.662 -2.426 . . . . 0.0 115.314 -124.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.0 m -69.1 -37.65 78.52 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 125.245 1.418 . . . . 0.0 111.488 158.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.98 -47.58 65.25 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 120.262 -1.524 . . . . 0.0 112.692 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.88 8.33 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.25 -166.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.5 m80 58.25 32.53 22.16 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 123.158 1.456 . . . . 0.0 111.517 -168.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.45 -54.86 2.83 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 124.409 1.083 . . . . 0.0 113.886 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.698 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 96.5 m-20 -61.19 -35.11 76.26 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 125.622 1.826 . . . . 0.0 107.077 172.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 58.2 ttm -66.21 -43.01 87.95 Favored 'General case' 0 N--CA 1.444 -0.768 1 O-C-N 116.064 -4.148 . . . . 0.0 114.651 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.14 -44.07 83.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.865 0.841 . . . . 0.0 110.382 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.36 -37.98 88.67 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.13 1.772 . . . . 0.0 112.437 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -55.53 -44.83 77.05 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.77 -42.92 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 123.354 1.55 . . . . 0.0 109.575 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.07 -44.28 72.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 116.755 -1.593 . . . . 0.0 114.041 172.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.42 -45.72 93.14 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 120.585 1.539 . . . . 0.0 110.045 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.974 ' HD2' HD22 ' A' ' 63' ' ' LEU . 22.5 m-30 -63.07 -47.26 83.68 Favored 'General case' 0 CA--C 1.468 -2.187 0 CA-C-O 113.804 -2.998 . . . . 0.0 104.079 -165.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.66 -39.5 94.09 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 121.518 1.963 . . . . 0.0 111.094 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -53.16 -45.43 68.45 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 117.902 -2.999 . . . . 0.0 113.453 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 98.1 mttt -93.42 144.09 25.66 Favored 'General case' 0 CA--C 1.463 -2.393 1 CA-C-O 111.401 -4.143 . . . . 0.0 116.261 176.171 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -6.67 59.02 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 127.928 2.68 . . . . 0.0 118.852 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CE1' ' HD3' ' A' ' 57' ' ' LYS . 63.5 m170 -68.75 -30.85 69.55 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 112.413 -3.66 . . . . 0.0 106.868 -152.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -101.13 146.61 27.25 Favored 'General case' 0 C--N 1.265 -3.081 1 CA-C-N 130.115 5.871 . . . . 0.0 112.783 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.3 -49.63 68.78 Favored 'General case' 0 CA--C 1.499 -1.01 0 O-C-N 118.121 -2.862 . . . . 0.0 118.135 170.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -145.22 153.53 41.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.853 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.974 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -127.02 135.01 50.23 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 160.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -159.6 145.6 16.04 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.86 158.81 7.69 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 116.725 -3.734 . . . . 0.0 116.813 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 68' ' ' VAL . 57.5 t -74.52 141.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-O 115.279 -2.296 . . . . 0.0 106.862 155.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.629 ' HD3' ' OG ' ' A' ' 69' ' ' SER . 40.4 mmt180 -90.63 61.51 4.87 Favored 'General case' 0 C--O 1.189 -2.101 1 CA-C-N 127.245 4.566 . . . . 0.0 118.305 151.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.703 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.4 m -96.87 7.44 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 127.525 2.33 . . . . 0.0 109.364 128.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.629 ' OG ' ' HD3' ' A' ' 67' ' ' ARG . 94.0 p -63.25 -43.23 98.59 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 127.146 2.178 . . . . 0.0 112.453 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.1 p -62.73 -34.44 77.18 Favored 'General case' 0 C--O 1.202 -1.408 0 CA-C-O 115.807 -2.044 . . . . 0.0 109.439 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -84.29 -51.11 7.25 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 116.432 -1.747 . . . . 0.0 114.815 167.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -120.54 -26.66 5.3 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 124.382 3.264 . . . . 0.0 107.256 -158.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 4.2 tptp 52.88 45.12 29.41 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 130.405 3.482 . . . . 0.0 113.271 172.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.21 -41.38 6.4 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.506 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 67.9 m-85 -108.68 117.32 33.87 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 127.906 2.482 . . . . 0.0 110.119 -152.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 94.0 mt -83.42 141.55 31.63 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.165 156.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CD2' HD11 ' A' ' 79' ' ' LEU . 28.2 t80 -104.3 114.32 28.48 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 123.248 1.499 . . . . 0.0 108.659 162.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.621 ' C ' HD12 ' A' ' 79' ' ' LEU . 85.1 tt0 -125.13 127.95 47.65 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -174.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.704 ' N ' HD12 ' A' ' 79' ' ' LEU . 3.6 mp -116.36 129.0 56.02 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 117.289 -3.382 . . . . 0.0 108.017 -161.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' NE2' HD23 ' A' ' 24' ' ' LEU . 2.1 m-70 -112.19 115.83 29.47 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 81' ' ' ILE . 63.2 mt 51.62 41.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.358 -174.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.622 ' CD1' ' HB3' ' A' ' 34' ' ' SER . 94.7 mt . . . . . 1 C--O 1.357 6.732 3 CA-C-O 109.571 -5.014 . . . . 0.0 110.194 -178.716 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.4 mttt . . . . . 0 CA--C 1.565 1.52 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.659 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 94.0 mt -115.55 145.48 42.61 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 20' ' ' GLU . 91.4 t -123.52 121.62 63.05 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.296 1 O-C-N 129.514 4.259 . . . . 0.0 116.05 169.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.7 mt -101.39 146.5 27.52 Favored 'General case' 0 C--O 1.183 -2.401 0 CA-C-O 125.236 2.446 . . . . 0.0 110.673 -166.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -58.47 135.69 57.33 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.259 -2.775 . . . . 0.0 116.282 163.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.97 -42.18 97.32 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-O 116.936 -1.507 . . . . 0.0 112.023 163.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.34 -49.1 75.27 Favored 'General case' 0 C--O 1.208 -1.128 0 O-C-N 124.968 1.418 . . . . 0.0 113.452 -151.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--N 1.306 -1.288 0 N-CA-C 118.185 2.661 . . . . 0.0 118.185 168.461 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.9 p . . . . . 0 N--CA 1.504 2.265 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG12 ' OD2' ' A' ' 23' ' ' ASP . 96.3 t -64.34 -35.57 74.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 C-N-CA 126.687 1.995 . . . . 0.0 114.145 -158.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.691 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . 34.1 tp10 -60.14 -43.7 95.52 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 120.78 -1.2 . . . . 0.0 109.341 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD22 ' HD2' ' A' ' 57' ' ' LYS . 97.2 mt -62.92 -47.29 83.9 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.32 -36.97 85.69 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 119.144 -2.222 . . . . 0.0 110.976 174.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' OD2' HG12 ' A' ' 19' ' ' VAL . 94.6 m-20 -64.96 -40.56 95.17 Favored 'General case' 0 CA--C 1.473 -2.015 0 O-C-N 126.315 2.259 . . . . 0.0 110.934 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 80' ' ' HIS . 68.0 mt -49.35 -58.42 5.13 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 123.861 1.791 . . . . 0.0 108.651 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.58 -49.35 69.14 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -69.65 -42.67 73.93 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.592 -169.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.769 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 97.1 mt-10 -65.77 -43.39 88.98 Favored 'General case' 0 C--O 1.2 -1.515 0 O-C-N 126.265 2.228 . . . . 0.0 110.452 -175.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 81' ' ' ILE . 2.4 t80 -56.63 -52.56 64.42 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 124.888 1.367 . . . . 0.0 107.696 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.8 p -61.83 -46.59 88.81 Favored 'General case' 0 CA--C 1.49 -1.337 0 O-C-N 125.483 1.739 . . . . 0.0 112.298 -170.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.73 -46.39 37.76 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 128.218 3.449 . . . . 0.0 108.0 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.672 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 20.6 t0 -151.22 159.81 44.18 Favored 'General case' 0 N--CA 1.423 -1.813 0 O-C-N 121.027 -1.045 . . . . 0.0 113.776 -165.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.71 110.61 21.7 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 117.656 -3.153 . . . . 0.0 112.946 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 13.6 ptm180 -167.8 159.36 11.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 120.754 1.616 . . . . 0.0 109.756 -136.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.582 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 74.7 p -131.1 154.17 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 -163.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 pt -134.92 162.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 123.97 0.908 . . . . 0.0 108.551 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.659 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 90.2 m-85 -114.04 123.31 49.38 Favored 'General case' 0 C--O 1.194 -1.825 0 C-N-CA 128.537 2.735 . . . . 0.0 103.853 166.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.691 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t80 -85.12 115.83 23.14 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 131.243 3.817 . . . . 0.0 114.003 164.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.4 t80 -104.59 88.86 3.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 116.487 -3.883 . . . . 0.0 111.408 -175.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.815 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -139.91 151.58 65.8 Favored Pre-proline 0 CA--C 1.498 -1.045 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 -166.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.638 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.9 Cg_exo -62.74 149.82 90.04 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 113.509 -3.86 . . . . 0.0 115.936 -130.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.5 m -63.95 -43.89 94.45 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 126.297 2.248 . . . . 0.0 115.972 154.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -65.04 -42.97 93.83 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.772 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -101.58 -40.0 7.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.424 -1.423 . . . . 0.0 111.106 -176.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.658 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 97.2 m-70 60.15 23.53 12.83 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 130.222 3.409 . . . . 0.0 114.593 -158.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.772 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.4 mttt -91.89 -44.77 8.73 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 115.498 -2.481 . . . . 0.0 106.111 -158.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 67.6 m-20 -62.59 -41.24 98.84 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 125.215 1.572 . . . . 0.0 107.461 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.99 -43.73 98.43 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.16 -37.1 83.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.16 -33.58 75.72 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 118.575 -2.578 . . . . 0.0 117.837 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.95 -40.9 73.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 123.053 1.406 . . . . 0.0 114.754 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.34 -45.81 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 CA-C-O 123.293 1.521 . . . . 0.0 108.804 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.28 -40.97 97.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -58.62 -43.54 89.69 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 120.445 -1.409 . . . . 0.0 112.155 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.1 m-85 -63.49 -43.37 97.46 Favored 'General case' 1 C--O 1.144 -4.449 0 CA-C-O 116.372 -1.775 . . . . 0.0 110.789 -177.223 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.67 -39.51 94.51 Favored 'General case' 0 CA--C 1.476 -1.876 0 CA-C-N 120.156 1.344 . . . . 0.0 111.0 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.01 -50.19 71.55 Favored 'General case' 0 CA--C 1.459 -2.541 0 CA-C-O 113.724 -3.036 . . . . 0.0 111.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.667 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.8 mttt -107.69 134.82 50.12 Favored 'General case' 0 C--O 1.183 -2.443 0 O-C-N 127.554 3.034 . . . . 0.0 117.39 -170.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.82 -10.67 77.27 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-O 114.498 -3.39 . . . . 0.0 120.175 -168.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.657 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 51.4 m80 -62.4 -42.9 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 123.956 3.878 . . . . 0.0 120.542 -168.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.7 t -67.69 155.88 38.2 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 118.08 -2.888 . . . . 0.0 108.101 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.866 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -97.26 -38.64 9.6 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.966 168.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 88.6 t80 -141.68 138.02 32.16 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.632 HD22 ' HD2' ' A' ' 54' ' ' PHE . 68.6 tp -123.18 130.38 52.68 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 119.901 -1.75 . . . . 0.0 107.015 175.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.645 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 16.7 t0 -139.1 165.22 27.72 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.624 1.969 . . . . 0.0 112.793 166.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 97.6 mt-10 -74.27 172.64 11.46 Favored 'General case' 0 C--N 1.329 -0.307 1 O-C-N 115.376 -4.578 . . . . 0.0 113.668 167.217 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 58.4 t -98.68 129.05 49.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 116.544 -2.062 . . . . 0.0 109.62 152.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.808 ' HA ' ' H ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -86.19 71.91 10.46 Favored 'General case' 1 C--O 1.103 -6.637 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.768 155.542 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -99.83 23.75 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.398 1 C-N-CA 133.044 4.538 . . . . 0.0 104.967 114.052 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.808 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 74.4 p -63.37 -37.54 87.68 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.102 -0.998 . . . . 0.0 109.547 173.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.0 m -60.84 -44.15 97.36 Favored 'General case' 0 N--CA 1.423 -1.779 0 C-N-CA 115.446 -2.502 . . . . 0.0 113.366 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -72.58 -47.28 49.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 119.875 3.287 . . . . 0.0 119.875 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -128.96 -33.62 1.98 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -160.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HE2' ' CE1' ' A' ' 44' ' ' HIS . 88.6 tttt 50.34 55.08 10.02 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 128.659 2.784 . . . . 0.0 110.674 151.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 29.4 p-10 -139.95 -0.12 1.71 Allowed 'General case' 0 C--N 1.268 -2.967 0 O-C-N 116.743 -3.723 . . . . 0.0 115.716 163.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.626 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 72.3 m-85 -101.16 127.22 47.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.526 1.966 . . . . 0.0 109.792 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.66 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 83.0 mt -96.58 131.18 43.47 Favored 'General case' 0 C--O 1.208 -1.096 0 C-N-CA 128.194 2.597 . . . . 0.0 112.942 158.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -108.98 112.07 24.07 Favored 'General case' 0 N--CA 1.426 -1.643 0 O-C-N 119.679 -1.888 . . . . 0.0 107.44 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.604 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -132.06 127.14 35.51 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -168.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 82' ' ' ILE . 4.8 mp -116.58 128.18 55.17 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -159.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.764 ' CE1' HD23 ' A' ' 24' ' ' LEU . 36.3 m-70 -97.12 128.34 43.94 Favored 'General case' 0 CA--C 1.48 -1.749 0 CA-C-O 116.791 -1.576 . . . . 0.0 107.792 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 81' ' ' ILE . 17.1 tt 29.01 66.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 128.207 3.442 . . . . 0.0 116.003 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.866 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.0 tt . . . . . 0 N--CA 1.509 2.524 0 C-N-CA 129.016 2.926 . . . . 0.0 116.42 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 5.8 mp -127.59 154.02 45.71 Favored 'General case' 0 C--O 1.207 -1.168 0 O-C-N 120.232 -1.542 . . . . 0.0 108.508 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 20' ' ' GLU . 96.2 t -122.82 125.72 72.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 124.606 1.191 . . . . 0.0 110.702 169.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.0 mt -88.94 139.77 30.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 123.291 1.52 . . . . 0.0 111.541 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.778 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -59.01 144.45 45.17 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.748 1.219 . . . . 0.0 109.295 166.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -61.92 -45.97 91.39 Favored 'General case' 0 C--O 1.199 -1.597 0 CA-C-O 117.077 -1.44 . . . . 0.0 111.851 160.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.58 -47.16 79.75 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 123.757 2.98 . . . . 0.0 115.136 -148.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 127.912 2.485 . . . . 0.0 115.828 174.493 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.15 -36.94 70.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.939 2.096 . . . . 0.0 113.647 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 25.1 pt-20 -58.38 -49.21 78.08 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 115.048 -2.406 . . . . 0.0 108.387 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 57' ' ' LYS . 77.8 mt -64.75 -45.26 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 123.632 2.923 . . . . 0.0 109.284 -161.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.08 -40.27 88.95 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 130.284 3.434 . . . . 0.0 114.417 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -65.78 -40.23 91.76 Favored 'General case' 0 CA--C 1.482 -1.637 0 O-C-N 124.999 1.437 . . . . 0.0 110.22 173.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 47.7 mt -59.11 -50.46 73.96 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -64.48 -51.19 64.3 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -69.1 -42.58 75.93 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 124.567 1.167 . . . . 0.0 111.283 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.5 -44.1 83.5 Favored 'General case' 0 CA--C 1.48 -1.744 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.6 t80 -57.94 -49.72 75.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -66.27 -40.45 90.11 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.723 1.209 . . . . 0.0 113.068 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -78.49 -44.52 24.28 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.995 1.318 . . . . 0.0 111.341 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.2 167.38 27.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.533 1.933 . . . . 0.0 113.696 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -122.62 126.51 47.81 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 117.981 -2.949 . . . . 0.0 114.312 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.78 ' HG2' ' H ' ' A' ' 34' ' ' SER . 28.5 ttm180 -172.26 -179.78 2.38 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 128.663 2.785 . . . . 0.0 112.827 -131.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 82.5 p -152.66 165.17 36.08 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 117.52 -3.237 . . . . 0.0 107.368 -176.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 pt -147.96 158.1 8.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 123.642 1.687 . . . . 0.0 109.385 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 81.9 m-85 -101.36 139.17 37.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.649 -2.069 . . . . 0.0 110.59 158.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 22.4 t80 -107.48 101.16 10.52 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 168.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.529 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -94.07 92.82 7.5 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 130.844 3.658 . . . . 0.0 105.44 -166.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.83 149.56 53.54 Favored Pre-proline 0 C--O 1.19 -2.055 0 CA-C-N 114.497 -1.229 . . . . 0.0 107.95 -160.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.7 Cg_endo -66.37 148.63 84.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-N 120.003 1.037 . . . . 0.0 114.128 -129.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -69.87 -37.2 76.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.8 1.762 . . . . 0.0 109.561 161.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.62 -39.55 80.75 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 127.465 2.306 . . . . 0.0 113.934 -158.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.264 . . -132.16 -16.62 2.79 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -174.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 m80 47.38 39.74 9.57 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 124.891 1.276 . . . . 0.0 108.963 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -97.12 -48.09 5.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.444 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 92.7 m-20 -63.41 -36.86 85.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.677 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.4 ttp -64.44 -42.13 96.16 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 119.284 0.947 . . . . 0.0 112.794 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.07 -42.08 98.83 Favored 'General case' 0 C--N 1.345 0.391 0 O-C-N 121.646 -0.659 . . . . 0.0 110.651 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 98.2 mttt -66.14 -33.4 75.69 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.176 -1.392 . . . . 0.0 111.458 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -59.02 -40.67 85.68 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 124.137 0.898 . . . . 0.0 112.323 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.26 -45.49 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.826 -1.15 . . . . 0.0 108.712 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.37 -44.47 94.71 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.446 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 21.2 m-30 -64.96 -35.71 82.05 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-O 122.025 0.917 . . . . 0.0 113.339 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.858 ' HD2' HD22 ' A' ' 63' ' ' LEU . 18.6 m-30 -68.19 -35.27 77.74 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.867 -173.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -35.64 75.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 127.927 2.491 . . . . 0.0 113.556 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.76 -39.35 77.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 116.546 -1.693 . . . . 0.0 110.962 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -112.86 139.77 48.22 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.37 37.42 3.14 Favored Glycine 0 CA--C 1.563 3.089 0 N-CA-C 122.726 3.85 . . . . 0.0 122.726 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.0 m-70 -93.15 -35.11 13.34 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 124.001 3.9 . . . . 0.0 113.218 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t -66.09 150.19 49.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.77 12.57 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.378 -1.283 . . . . 0.0 107.833 167.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -157.76 154.24 27.85 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -169.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 54' ' ' PHE . 64.7 tp -129.61 137.03 50.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.895 1.278 . . . . 0.0 112.053 172.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.9 t0 -149.75 -179.98 7.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 165.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -82.48 169.98 15.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 119.29 -2.131 . . . . 0.0 112.348 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.012 HG23 ' H ' ' A' ' 69' ' ' SER . 27.8 m -77.4 166.96 2.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 125.603 3.819 . . . . 0.0 110.847 142.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -71.39 -34.34 70.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.524 3.53 . . . . 0.0 115.87 167.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.0 -3.1 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 118.839 -2.413 . . . . 0.0 110.799 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 1.012 ' H ' HG23 ' A' ' 66' ' ' VAL . 69.9 m -76.31 47.96 0.5 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 120.273 -1.517 . . . . 0.0 113.483 140.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.5 p -99.29 -56.48 2.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 132.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -71.33 -38.43 71.67 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 128.07 2.548 . . . . 0.0 112.013 -157.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.13 -22.74 2.81 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.68 1.192 . . . . 0.0 113.16 -168.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.13 50.27 13.91 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 113.986 -2.912 . . . . 0.0 113.707 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -117.48 -39.54 3.16 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 96.8 m-85 -106.72 122.09 45.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 124.117 0.886 . . . . 0.0 112.464 -171.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 93.0 mt -87.61 146.0 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.548 -0.72 . . . . 0.0 111.371 157.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 79' ' ' LEU . 33.9 t80 -108.08 112.68 25.35 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.186 0.594 . . . . 0.0 110.753 175.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.548 ' C ' HD12 ' A' ' 79' ' ' LEU . 67.4 tt0 -127.15 129.86 48.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.274 -173.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp -120.54 137.67 54.26 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -164.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.421 ' CE1' HD23 ' A' ' 24' ' ' LEU . 43.1 m170 -110.17 120.02 41.1 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 116.543 -1.694 . . . . 0.0 107.568 -167.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt 57.89 -32.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 -164.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 82' ' ' ILE . 91.4 mt . . . . . 0 N--CA 1.497 1.905 0 CA-C-N 123.167 2.712 . . . . 0.0 113.312 -166.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -130.69 166.07 21.51 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.327 172.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.533 ' HB ' ' CD2' ' A' ' 37' ' ' TYR . 79.5 t -121.43 145.02 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.622 161.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.9 mt -118.28 140.78 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -63.29 159.09 18.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.867 2.067 . . . . 0.0 112.522 166.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.46 -14.1 24.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 118.304 -2.748 . . . . 0.0 118.008 174.61 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.528 HD22 ' HG3' ' A' ' 40' ' ' PRO . 97.9 m-20 -67.24 -39.1 86.14 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 126.033 1.733 . . . . 0.0 107.891 -169.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.322 -0.587 0 O-C-N 125.155 1.534 . . . . 0.0 114.21 -163.28 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.242 0.687 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 m -98.49 -22.05 4.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 CA-C-O 115.781 -2.057 . . . . 0.0 108.62 169.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.788 ' O ' HD13 ' A' ' 24' ' ' LEU . 24.8 pt-20 -63.11 -36.42 83.54 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 115.11 -2.636 . . . . 0.0 108.172 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.077 HD22 ' HE3' ' A' ' 57' ' ' LYS . 98.8 mt -63.86 -50.23 69.64 Favored 'General case' 0 N--CA 1.438 -1.037 1 O-C-N 115.179 -4.701 . . . . 0.0 113.981 -178.57 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.26 -38.9 91.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.745 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.66 -36.67 78.87 Favored 'General case' 0 CA--C 1.482 -1.646 0 C-N-CA 119.949 -0.701 . . . . 0.0 109.362 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 20' ' ' GLU . 11.2 mp -58.63 -59.19 5.79 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.958 -1.973 . . . . 0.0 106.886 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -59.67 -41.62 91.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 116.944 -1.903 . . . . 0.0 107.769 -163.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.46 -35.13 11.82 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.273 -1.785 . . . . 0.0 114.136 -162.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.846 ' OE1' HD11 ' A' ' 35' ' ' ILE . 94.2 mt-10 -60.47 -38.01 82.85 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.741 ' HE2' HD11 ' A' ' 81' ' ' ILE . 12.2 t80 -58.46 -49.8 76.01 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 127.908 2.483 . . . . 0.0 113.793 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -73.66 -33.52 64.52 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 116.293 -1.813 . . . . 0.0 115.831 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -82.98 -39.97 20.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 126.765 2.541 . . . . 0.0 114.253 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.03 166.24 33.89 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -109.62 120.51 42.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 117.242 -1.783 . . . . 0.0 112.092 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HG2' ' N ' ' A' ' 34' ' ' SER . 33.2 ttm180 -152.09 173.14 15.28 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 121.984 2.175 . . . . 0.0 110.361 -146.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.571 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 50.1 m -125.34 167.47 14.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 119.693 -1.88 . . . . 0.0 109.783 157.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.846 HD11 ' OE1' ' A' ' 27' ' ' GLU . 83.1 mt -131.4 153.47 38.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 C-N-CA 125.878 1.671 . . . . 0.0 111.602 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 5' ' ' LEU . 54.4 p90 -114.57 151.78 32.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 124.2 1.952 . . . . 0.0 113.767 148.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 86.4 m-85 -116.62 124.74 50.52 Favored 'General case' 0 C--O 1.203 -1.349 0 O-C-N 120.798 -1.189 . . . . 0.0 108.405 -171.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 7' ' ' LEU . 63.4 t80 -105.97 94.8 5.37 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.485 1.914 . . . . 0.0 113.56 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 46' ' ' ASP . . . -138.91 144.82 42.95 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 10' ' ' ASN . 65.6 Cg_endo -69.96 153.45 68.02 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 -113.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 m -70.58 -39.84 73.62 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 170.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.67 -44.89 84.89 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -25.27 8.46 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.423 ' H ' ' HG2' ' A' ' 40' ' ' PRO . 95.3 m-70 54.7 40.88 32.17 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 120.339 -1.476 . . . . 0.0 110.359 -174.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -99.82 -56.37 2.4 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 117.26 2.319 . . . . 0.0 117.26 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -60.67 -34.65 74.64 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 125.441 1.713 . . . . 0.0 107.882 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.516 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.3 ttp -67.28 -45.1 77.61 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 tp -57.15 -44.14 83.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.284 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.95 -33.06 71.61 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.11 0.964 . . . . 0.0 112.594 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.1 86.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.186 0.993 . . . . 0.0 113.095 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.0 t -55.94 -44.35 77.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.214 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.18 -41.84 94.2 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.491 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 20.0 m-30 -58.43 -39.87 80.99 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.249 0.968 . . . . 0.0 112.056 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.952 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.1 m-30 -73.51 -37.34 65.71 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -157.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.61 -42.54 67.54 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-N 111.667 -2.515 . . . . 0.0 110.665 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -41.21 90.75 Favored 'General case' 1 C--N 1.231 -4.565 0 CA-C-N 125.922 3.965 . . . . 0.0 110.701 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 1.077 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.3 mmtt -66.97 -61.46 1.93 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 119.409 3.114 . . . . 0.0 119.409 -165.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.18 12.57 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 128.742 3.068 . . . . 0.0 118.358 -160.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 36.7 m170 -120.97 7.21 10.35 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -110.45 -140.78 0.38 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 -146.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.12 -66.27 0.71 Allowed 'General case' 0 C--O 1.164 -3.41 1 N-CA-C 98.743 -4.54 . . . . 0.0 98.743 126.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -130.59 155.73 46.04 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 125.412 1.695 . . . . 0.0 110.702 -161.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 54' ' ' PHE . 51.9 tp -126.36 128.38 46.98 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 167.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -116.03 170.41 8.51 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 126.275 1.83 . . . . 0.0 112.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 24.0 pt-20 -81.22 166.69 20.36 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.296 -1.503 . . . . 0.0 112.271 160.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 77' ' ' TYR . 76.6 t -103.74 130.79 53.67 Favored 'Isoleucine or valine' 0 C--O 1.265 1.88 0 CA-C-O 113.975 -2.917 . . . . 0.0 116.579 153.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.545 ' HA ' ' H ' ' A' ' 69' ' ' SER . 79.8 mtt85 -81.65 59.95 4.39 Favored 'General case' 0 C--O 1.192 -1.938 1 C-N-CA 132.003 4.121 . . . . 0.0 116.083 161.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.69 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.3 m -107.66 26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 1 O-C-N 115.734 -4.354 . . . . 0.0 106.893 123.677 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.562 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 59.3 p -67.82 -35.24 78.25 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.823 2.449 . . . . 0.0 113.24 -176.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -61.74 -41.8 98.13 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.995 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -73.86 -45.84 48.6 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -113.96 -50.8 2.81 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.283 -2.76 . . . . 0.0 108.064 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 63.1 tttp 61.94 25.05 15.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 129.071 2.949 . . . . 0.0 112.084 -172.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -93.22 -16.7 24.52 Favored 'General case' 0 CA--C 1.49 -1.331 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -109.67 118.07 35.58 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 122.168 0.985 . . . . 0.0 109.453 -162.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 82.6 mt -107.27 147.39 30.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 124.012 0.925 . . . . 0.0 110.27 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 66' ' ' VAL . 59.8 t80 -125.25 101.43 6.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.025 -152.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.677 ' C ' HD12 ' A' ' 79' ' ' LEU . 47.9 tt0 -120.08 147.78 44.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 120.436 1.471 . . . . 0.0 107.569 -167.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 82' ' ' ILE . 3.0 mp -127.33 133.64 50.07 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 35' ' ' ILE . 66.1 m80 -113.17 116.48 29.89 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.864 1.266 . . . . 0.0 108.091 -170.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 81' ' ' ILE . 30.3 mm 49.27 44.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -168.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.015 ' CD1' HD23 ' A' ' 79' ' ' LEU 0.279 18.5 tt . . . . . 0 C--O 1.247 0.937 1 CA-C-O 110.53 -4.557 . . . . 0.0 113.916 -170.317 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.548 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.0 mttt . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -121.49 160.62 23.83 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 119.739 -1.851 . . . . 0.0 107.349 -169.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 20' ' ' GLU . 87.7 t -137.9 117.22 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 112.094 -2.321 . . . . 0.0 105.833 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.2 mt -94.95 141.41 28.68 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 123.142 1.448 . . . . 0.0 110.283 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.703 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -68.76 148.66 50.02 Favored 'General case' 0 C--O 1.26 1.609 0 C-N-CA 126.704 2.002 . . . . 0.0 113.983 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -80.75 -15.95 55.12 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 117.627 -3.17 . . . . 0.0 113.09 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -62.99 -40.49 97.9 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 123.294 2.77 . . . . 0.0 105.308 -169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p . . . . . 0 CA--C 1.493 -1.213 0 C-N-CA 119.378 -0.929 . . . . 0.0 113.271 -167.823 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.92 -27.76 39.29 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.181 0 O-C-N 126.965 2.665 . . . . 0.0 113.276 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.928 ' HB2' HG11 ' A' ' 6' ' ' VAL . 25.6 tp10 -56.94 -45.32 82.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 117.493 -1.683 . . . . 0.0 113.28 168.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD22 ' HE3' ' A' ' 57' ' ' LYS . 95.6 mt -60.86 -47.56 85.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 119.819 -1.801 . . . . 0.0 110.705 -174.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.22 -38.85 91.72 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.253 1.021 . . . . 0.0 112.8 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -38.72 89.1 Favored 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 116.718 -1.611 . . . . 0.0 110.951 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' CE1' ' A' ' 80' ' ' HIS . 32.6 mt -53.79 -56.12 20.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.136 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 82.2 t80 -63.33 -46.67 85.55 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.322 -174.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -76.3 -40.23 52.08 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.55 -43.13 99.56 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 124.433 1.093 . . . . 0.0 108.985 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.622 ' HE2' HG13 ' A' ' 81' ' ' ILE . 23.5 t80 -60.64 -49.84 75.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -65.65 -40.49 92.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.126 -1.892 . . . . 0.0 111.516 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.31 -51.95 9.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.756 1.285 . . . . 0.0 109.657 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -128.54 157.51 41.0 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 126.268 1.827 . . . . 0.0 107.865 -157.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.97 103.68 11.64 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 162.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -160.13 159.3 31.6 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -139.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.773 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 96.8 p -129.88 155.23 46.36 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.12 -169.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 15.6 pt -126.31 156.98 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 120.792 1.633 . . . . 0.0 110.48 -174.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 54.7 m-85 -102.78 123.28 46.15 Favored 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 120.639 3.57 . . . . 0.0 120.639 149.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 54.4 t80 -109.48 98.2 7.63 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 -160.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HB3' HD23 ' A' ' 7' ' ' LEU . 25.3 t80 -95.49 94.42 7.78 Favored 'General case' 0 C--O 1.25 1.093 0 C-N-CA 130.179 3.392 . . . . 0.0 106.826 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 8' ' ' ALA . . . -144.58 142.95 19.96 Favored Pre-proline 0 CA--C 1.496 -1.123 0 C-N-CA 125.784 1.634 . . . . 0.0 113.832 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.79 156.34 65.77 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 114.411 -3.26 . . . . 0.0 109.266 -121.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.0 m -67.21 -37.2 83.24 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 125.6 1.812 . . . . 0.0 115.221 161.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.44 -41.7 55.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 127.507 2.323 . . . . 0.0 114.75 -173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.96 -26.89 10.49 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.675 -1.21 . . . . 0.0 112.837 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.605 ' ND1' ' HE2' ' A' ' 73' ' ' LYS . 14.6 t60 61.61 22.35 12.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.042 2.537 . . . . 0.0 112.751 -170.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -97.36 -52.89 3.64 Favored 'General case' 0 CA--C 1.468 -2.199 0 O-C-N 120.901 -1.125 . . . . 0.0 111.599 -157.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.703 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 89.3 m-20 -59.34 -35.86 74.64 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 126.478 2.361 . . . . 0.0 109.291 170.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.1 ttm -68.58 -40.91 80.34 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.9 -43.94 94.53 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.6 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 99.2 mttt -63.48 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.465 1.106 . . . . 0.0 112.647 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -56.68 -48.37 77.79 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.3 -43.87 94.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -67.93 -40.17 83.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 118.461 -2.649 . . . . 0.0 114.838 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 7.2 m-30 -61.04 -45.16 95.91 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 121.758 -0.588 . . . . 0.0 112.277 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.802 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.6 m-30 -60.58 -46.03 91.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 -165.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.8 -43.58 98.57 Favored 'General case' 0 CA--C 1.492 -1.286 0 O-C-N 126.465 2.353 . . . . 0.0 110.184 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.01 -42.15 79.81 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.556 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HE3' HD22 ' A' ' 21' ' ' LEU . 71.6 mmtt -61.73 -65.81 0.63 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.81 38.2 20.59 Favored Glycine 0 CA--C 1.557 2.666 0 N-CA-C 120.843 3.097 . . . . 0.0 120.843 -156.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HD1' ' A' ' 25' ' ' TYR . 95.6 m-70 -106.3 -34.1 7.57 Favored 'General case' 0 N--CA 1.511 2.59 0 CA-C-N 123.585 3.693 . . . . 0.0 118.088 160.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.1 t -67.46 153.38 43.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.689 1.596 . . . . 0.0 108.243 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB2' ' HA ' ' A' ' 81' ' ' ILE . . . -89.82 -39.88 12.81 Favored 'General case' 0 N--CA 1.426 -1.66 0 O-C-N 120.38 -1.45 . . . . 0.0 108.751 171.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 78.9 t80 -149.37 152.52 35.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.623 1.827 . . . . 0.0 111.919 -170.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.802 HD22 ' HD2' ' A' ' 54' ' ' PHE . 60.8 tp -133.45 137.91 45.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.732 1.213 . . . . 0.0 109.688 169.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 39.6 t0 -145.54 161.19 40.36 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 128.136 2.575 . . . . 0.0 114.921 172.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -72.32 161.73 30.45 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 118.049 -2.907 . . . . 0.0 109.132 168.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.834 HG12 ' H ' ' A' ' 68' ' ' VAL . 56.1 t -91.04 133.58 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 150.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.53 ' HA ' ' H ' ' A' ' 69' ' ' SER . 30.9 mmt180 -85.21 63.72 8.26 Favored 'General case' 0 C--O 1.198 -1.645 0 O-C-N 119.35 -2.094 . . . . 0.0 114.353 152.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.834 ' H ' HG12 ' A' ' 66' ' ' VAL . 19.3 m -99.12 19.17 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.514 -1.991 . . . . 0.0 107.076 128.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.53 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 94.1 p -62.19 -48.88 78.09 Favored 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 127.197 2.199 . . . . 0.0 105.934 -170.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -62.51 -39.61 94.09 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.94 -40.12 68.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -131.35 -35.14 1.35 Allowed 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -167.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.662 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 86.0 tttt 59.28 39.57 22.37 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 130.074 3.35 . . . . 0.0 118.589 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -135.07 -7.05 2.34 Favored 'General case' 0 C--N 1.288 -2.074 1 O-C-N 115.322 -4.611 . . . . 0.0 115.707 -167.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 36' ' ' PHE . 40.2 m-85 -101.87 117.51 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 126.0 2.063 . . . . 0.0 114.084 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 56.8 mt -78.58 141.31 38.18 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.61 145.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.672 ' CD2' HD11 ' A' ' 79' ' ' LEU . 25.1 t80 -95.29 98.8 10.86 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 128.332 2.653 . . . . 0.0 108.178 171.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.762 ' C ' HD12 ' A' ' 79' ' ' LEU . 84.5 tt0 -119.91 121.33 38.78 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 122.307 2.321 . . . . 0.0 111.391 -174.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.773 ' HG ' ' HB2' ' A' ' 34' ' ' SER . 4.8 mp -121.37 134.51 55.12 Favored 'General case' 0 CA--C 1.487 -1.453 0 O-C-N 119.159 -2.213 . . . . 0.0 109.541 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.666 ' CE1' HD23 ' A' ' 24' ' ' LEU . 30.2 m170 -113.2 125.24 54.12 Favored 'General case' 0 CA--C 1.481 -1.687 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.031 -160.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.937 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 32.5 mm 0.55 98.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -138.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 168.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' ILE . 97.7 mttt . . . . . 0 C--O 1.207 -1.137 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 36' ' ' PHE . 51.6 tp -113.22 132.54 55.47 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 120.348 1.431 . . . . 0.0 113.093 -163.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 1.0 HG21 ' OE1' ' A' ' 20' ' ' GLU . 61.9 t -105.35 137.39 35.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 171.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.4 mt -107.53 141.39 39.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.74 1.733 . . . . 0.0 106.7 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -55.79 148.32 16.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.601 1.961 . . . . 0.0 111.342 163.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -61.75 -48.05 82.42 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-O 115.87 -2.014 . . . . 0.0 112.243 163.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.83 -42.23 67.22 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 121.605 2.002 . . . . 0.0 113.548 -149.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 40' ' ' PRO . 52.8 m . . . . . 0 C--N 1.305 -1.328 0 O-C-N 125.357 1.66 . . . . 0.0 111.514 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.53 3.55 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.96 -33.44 55.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 O-C-N 124.532 1.145 . . . . 0.0 111.166 -167.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 1.0 ' OE1' HG21 ' A' ' 6' ' ' VAL . 42.2 tp10 -64.02 -46.85 82.63 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.45 -47.36 85.79 Favored 'General case' 0 C--O 1.184 -2.372 0 O-C-N 120.446 -1.409 . . . . 0.0 108.823 -171.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -65.64 -39.6 91.61 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.344 -2.741 . . . . 0.0 116.172 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.89 -34.63 77.03 Favored 'General case' 0 CA--C 1.475 -1.917 0 O-C-N 125.774 1.921 . . . . 0.0 106.581 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.2 mp -50.12 -65.63 0.53 Allowed 'General case' 0 C--O 1.187 -2.23 0 CA-C-O 114.833 -2.508 . . . . 0.0 106.595 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.94 -49.93 72.16 Favored 'General case' 0 C--N 1.384 2.105 1 O-C-N 129.97 4.544 . . . . 0.0 110.447 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -83.11 -36.0 25.17 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 117.189 -1.386 . . . . 0.0 113.161 -168.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.65 -38.79 92.44 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CE2' HG13 ' A' ' 81' ' ' ILE . 46.2 t80 -54.01 -59.88 4.06 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.456 174.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -63.87 -41.79 97.67 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 126.135 2.147 . . . . 0.0 106.653 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -76.2 -39.34 54.94 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 119.418 1.008 . . . . 0.0 112.939 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -153.65 169.33 23.55 Favored 'General case' 0 C--N 1.286 -2.159 0 C-N-CA 125.904 1.682 . . . . 0.0 112.007 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' A' ' 81' ' ' ILE . 99.4 mttt -118.81 124.01 46.16 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 118.665 -2.522 . . . . 0.0 116.116 172.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HG2' ' H ' ' A' ' 34' ' ' SER . 44.9 ttp180 -176.39 165.98 2.74 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 118.396 -2.69 . . . . 0.0 112.945 -139.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.531 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 41.2 t -155.9 136.68 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 117.964 -2.96 . . . . 0.0 108.575 -148.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.809 HD12 ' ND1' ' A' ' 80' ' ' HIS . 96.5 mt -140.74 150.84 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.614 -135.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' O ' HD12 ' A' ' 5' ' ' LEU . 78.2 m-85 -113.4 136.37 52.85 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.8 t80 -107.36 123.91 49.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 41.3 t80 -107.47 97.85 7.54 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 127.862 2.465 . . . . 0.0 110.404 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -139.67 149.9 61.27 Favored Pre-proline 0 N--CA 1.441 -0.915 0 C-N-CA 126.793 2.037 . . . . 0.0 114.554 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -74.85 150.86 39.56 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 116.038 -2.174 . . . . 0.0 116.179 -119.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.7 m -62.3 -48.53 79.44 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.9 -38.68 69.9 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 111.566 -2.561 . . . . 0.0 112.579 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.05 -26.87 9.48 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 118.437 2.754 . . . . 0.0 118.437 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 57.53 34.98 25.3 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.244 2.217 . . . . 0.0 110.137 -171.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -101.23 -54.82 2.69 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.842 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 80.7 m-20 -60.71 -37.11 80.57 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 116.582 -1.675 . . . . 0.0 107.084 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.428 ' HG3' HD11 ' A' ' 76' ' ' LEU . 51.8 ttm -67.45 -43.61 80.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 120.821 1.646 . . . . 0.0 113.605 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.87 -41.34 91.33 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -38.81 92.52 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 118.242 -0.885 . . . . 0.0 113.089 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -56.58 -42.04 77.99 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.168 0.987 . . . . 0.0 112.709 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.28 -44.44 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 117.796 -1.562 . . . . 0.0 111.884 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.82 -39.44 80.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.21 -41.5 99.15 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.822 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.4 m-30 -61.83 -43.97 97.78 Favored 'General case' 0 C--O 1.16 -3.654 0 O-C-N 124.748 1.28 . . . . 0.0 110.964 -166.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.91 -37.48 78.97 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 113.33 -3.224 . . . . 0.0 110.874 175.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.23 -37.03 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 121.503 1.956 . . . . 0.0 109.825 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.28 152.1 24.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.85 -12.55 84.06 Favored Glycine 0 C--O 1.194 -2.381 0 C-N-CA 130.071 3.7 . . . . 0.0 116.101 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -65.43 -43.49 90.31 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 118.47 -2.782 . . . . 0.0 118.063 -164.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 6.7 t -65.3 161.34 19.72 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.91 -45.59 6.24 Favored 'General case' 0 N--CA 1.44 -0.971 0 O-C-N 120.279 -1.513 . . . . 0.0 109.862 164.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -134.88 157.58 46.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.414 -1.429 . . . . 0.0 112.6 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.831 HD13 ' OE1' ' A' ' 78' ' ' GLU . 61.8 tp -133.97 131.08 38.56 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.419 1.888 . . . . 0.0 112.987 168.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -138.83 165.78 26.14 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.105 -0.997 . . . . 0.0 112.293 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 21.4 pt-20 -68.17 165.14 18.88 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 165.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.9 t -105.34 129.84 57.54 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 CA-C-N 118.92 0.782 . . . . 0.0 111.671 156.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.476 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 82.7 mtt85 -87.38 58.7 5.11 Favored 'General case' 0 C--O 1.201 -1.482 0 C-N-CA 127.284 2.234 . . . . 0.0 115.166 165.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.607 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.5 m -108.42 22.68 4.05 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.612 0 O-C-N 119.417 -2.052 . . . . 0.0 107.476 132.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 5.0 p -66.6 -34.84 78.77 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 128.246 2.618 . . . . 0.0 111.404 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.6 p -57.58 -42.7 83.62 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 121.508 1.958 . . . . 0.0 108.854 170.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.15 -35.41 36.65 Favored 'General case' 0 C--O 1.224 -0.254 1 N-CA-C 122.383 4.216 . . . . 0.0 122.383 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -116.11 -47.14 2.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 126.071 2.107 . . . . 0.0 114.733 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 88.1 tttt 50.73 49.12 21.6 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 126.693 1.997 . . . . 0.0 110.949 -166.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.83 -10.28 8.27 Favored 'General case' 0 CA--C 1.494 -1.208 0 O-C-N 119.935 -1.728 . . . . 0.0 108.13 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 48.5 m-85 -109.74 125.25 52.48 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.593 1.187 . . . . 0.0 112.438 -164.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 47' ' ' MET . 95.2 mt -104.38 143.04 33.53 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.035 164.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 79' ' ' LEU . 38.4 t80 -111.43 105.67 14.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.134 1.445 . . . . 0.0 107.238 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.831 ' OE1' HD13 ' A' ' 63' ' ' LEU . 19.2 tp10 -98.41 144.46 27.76 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.881 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 78' ' ' GLU . 2.7 mp -130.74 120.27 23.58 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 122.386 2.357 . . . . 0.0 108.545 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.809 ' ND1' HD12 ' A' ' 35' ' ' ILE . 58.9 m80 -110.32 125.25 52.97 Favored 'General case' 0 CA--C 1.486 -1.496 0 CA-C-N 123.236 2.744 . . . . 0.0 108.624 -170.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 81' ' ' ILE . 19.9 mm 26.54 66.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -151.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 10.4 tp . . . . . 1 C--O 1.432 10.698 1 CA-C-O 111.27 -4.205 . . . . 0.0 111.209 173.185 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 119.074 -0.489 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -139.97 155.01 47.32 Favored 'General case' 0 N--CA 1.406 -2.635 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.893 HG11 ' HB2' ' A' ' 20' ' ' GLU . 92.2 t -126.53 123.64 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 O-C-N 127.127 2.767 . . . . 0.0 111.802 165.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 38' ' ' PHE . 64.2 mt -92.7 146.8 23.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.984 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.818 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . . . -60.57 148.06 39.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.159 2.584 . . . . 0.0 111.422 164.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.72 -49.02 76.7 Favored 'General case' 0 C--O 1.175 -2.816 0 O-C-N 125.621 1.826 . . . . 0.0 111.844 162.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HG3' ' A' ' 40' ' ' PRO . 62.3 t-20 -65.48 -45.94 81.72 Favored 'General case' 0 C--N 1.314 -0.976 1 O-C-N 116.15 -4.094 . . . . 0.0 117.053 -140.654 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 N--CA 1.436 -1.157 0 O-C-N 125.703 1.877 . . . . 0.0 115.393 175.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 121.563 0.697 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.23 -38.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 126.028 1.731 . . . . 0.0 115.263 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HB2' HG11 ' A' ' 6' ' ' VAL . 17.4 tp10 -56.67 -48.0 78.58 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-O 124.549 2.119 . . . . 0.0 110.174 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.56 -50.32 74.33 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.972 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.4 -39.36 92.1 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.841 -1.162 . . . . 0.0 111.709 176.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -69.76 -34.86 74.38 Favored 'General case' 0 CA--C 1.47 -2.102 0 O-C-N 126.907 2.63 . . . . 0.0 113.543 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD23 ' NE2' ' A' ' 80' ' ' HIS . 57.2 mt -54.54 -51.54 64.87 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 117.425 -1.71 . . . . 0.0 111.111 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.18 -46.66 76.55 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 124.295 1.038 . . . . 0.0 110.011 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -74.82 -39.46 61.65 Favored 'General case' 0 CA--C 1.481 -1.698 0 C-N-CA 118.048 -1.461 . . . . 0.0 114.148 -173.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.96 -42.01 97.41 Favored 'General case' 0 CA--C 1.475 -1.91 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.1 t80 -63.07 -46.73 86.06 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 117.78 -1.568 . . . . 0.0 115.07 -172.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -65.31 -48.49 72.92 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.69 -46.39 79.21 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 118.031 -1.468 . . . . 0.0 108.2 -166.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -148.01 162.9 38.42 Favored 'General case' 0 N--CA 1.412 -2.372 0 C-N-CA 126.634 1.974 . . . . 0.0 113.141 -157.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -120.49 124.32 45.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HG2' ' N ' ' A' ' 34' ' ' SER . 38.3 ttm180 -164.79 173.18 12.06 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 125.621 1.568 . . . . 0.0 115.102 -133.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.666 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 83.4 p -154.86 163.6 40.05 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 119.053 -2.28 . . . . 0.0 114.56 172.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.538 HD11 ' OE1' ' A' ' 78' ' ' GLU . 38.7 pt -136.22 152.26 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-O 122.102 0.953 . . . . 0.0 108.991 -163.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.6 m-85 -92.91 147.81 22.54 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 120.406 -1.434 . . . . 0.0 112.034 152.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' HD1' ' HB ' ' A' ' 6' ' ' VAL . 74.2 t80 -122.27 118.04 27.59 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.922 -1.111 . . . . 0.0 110.063 175.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 7' ' ' LEU . 67.5 t80 -100.33 96.44 7.44 Favored 'General case' 0 CA--C 1.474 -1.943 0 C-N-CA 127.432 2.293 . . . . 0.0 111.095 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -133.34 142.17 43.25 Favored Pre-proline 0 CA--C 1.485 -1.522 0 CA-C-O 117.599 -1.191 . . . . 0.0 113.272 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.818 ' HD2' ' CB ' ' A' ' 8' ' ' ALA . 22.1 Cg_exo -39.57 144.98 0.27 Allowed 'Trans proline' 0 C--N 1.4 3.252 2 O-C-N 133.274 6.407 . . . . 0.0 126.569 -143.285 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.4 m -66.96 -45.58 77.32 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 117.815 -1.554 . . . . 0.0 108.941 160.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.472 ' OD1' ' HB3' ' A' ' 40' ' ' PRO . 16.3 p-10 -78.55 -13.31 59.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 -165.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -120.02 -28.53 5.12 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 159.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 m80 58.44 34.97 24.42 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 128.243 2.617 . . . . 0.0 114.337 -163.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.7 tttt -98.27 -55.01 2.89 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.702 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.0 m-20 -60.01 -36.53 77.42 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 126.655 2.472 . . . . 0.0 107.689 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.421 ' HG3' HD11 ' A' ' 76' ' ' LEU . 63.5 ttp -64.15 -45.48 88.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.87 -42.69 90.05 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 122.667 1.222 . . . . 0.0 111.673 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 97.6 mttt -66.24 -35.43 80.4 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 125.518 1.527 . . . . 0.0 112.933 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -57.27 -43.63 83.24 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 125.065 1.478 . . . . 0.0 110.508 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.01 -48.0 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 122.042 0.925 . . . . 0.0 108.569 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.05 -44.28 89.57 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.977 1.311 . . . . 0.0 111.566 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.57 -39.11 72.94 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 124.908 1.38 . . . . 0.0 109.085 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HD2' HD13 ' A' ' 63' ' ' LEU . 6.9 m-85 -79.44 -32.19 42.69 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 -152.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.04 -44.43 72.69 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.32 -42.54 86.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 119.989 -0.685 . . . . 0.0 112.228 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -100.69 145.87 27.9 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 120.525 -1.359 . . . . 0.0 111.967 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.73 4.34 70.08 Favored Glycine 0 C--O 1.193 -2.434 0 C-N-CA 127.494 2.473 . . . . 0.0 112.918 -166.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 43.2 m80 -91.7 10.54 27.86 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 117.01 -3.641 . . . . 0.0 113.485 -156.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 24' ' ' LEU . 61.7 p -111.64 -127.79 0.28 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.557 -156.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 79' ' ' LEU . . . -154.78 -49.99 0.09 Allowed 'General case' 0 CA--C 1.475 -1.921 0 O-C-N 116.428 -3.92 . . . . 0.0 104.029 142.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.951 ' HB2' HD21 ' A' ' 79' ' ' LEU . 67.7 m-85 -147.08 165.79 28.87 Favored 'General case' 0 C--N 1.351 0.636 1 O-C-N 129.587 4.304 . . . . 0.0 110.255 166.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.774 HD13 ' HD2' ' A' ' 54' ' ' PHE . 3.7 tt -132.66 144.57 50.42 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 160.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 63' ' ' LEU . 30.6 t0 -154.47 159.36 40.97 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 120.049 -1.657 . . . . 0.0 108.098 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.26 156.67 18.08 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 119.402 -2.062 . . . . 0.0 109.213 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.039 HG12 ' H ' ' A' ' 68' ' ' VAL . 59.5 t -61.01 144.84 13.27 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 O-C-N 118.188 -2.82 . . . . 0.0 112.466 136.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -87.29 66.69 9.3 Favored 'General case' 0 C--O 1.178 -2.708 1 O-C-N 114.981 -4.824 . . . . 0.0 119.988 139.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.039 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.7 m -107.69 10.21 9.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 117.563 -3.211 . . . . 0.0 106.966 123.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -64.07 -40.11 95.54 Favored 'General case' 0 C--O 1.186 -2.248 0 CA-C-O 123.203 1.477 . . . . 0.0 110.014 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.6 m -59.44 -41.21 89.1 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 119.088 -2.257 . . . . 0.0 111.308 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.38 -43.89 72.59 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 165.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -112.39 -34.15 5.97 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 119.302 3.075 . . . . 0.0 119.302 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 46.89 44.29 14.35 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 130.541 3.536 . . . . 0.0 119.09 -158.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.68 -43.35 6.84 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CE1' ' HD1' ' A' ' 38' ' ' PHE . 50.9 m-85 -109.98 109.04 19.49 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -160.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 89.7 mt -89.6 146.27 24.68 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -114.58 122.51 46.74 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.538 ' OE1' HD11 ' A' ' 35' ' ' ILE . 59.9 tt0 -119.08 130.1 55.43 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 120.875 -1.14 . . . . 0.0 111.589 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.951 HD21 ' HB2' ' A' ' 62' ' ' TYR . 2.3 pt? -111.29 130.82 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 118.744 -2.472 . . . . 0.0 107.553 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' NE2' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.84 118.61 37.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -174.302 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.964 ' O ' HG22 ' A' ' 82' ' ' ILE . 96.8 mt 59.45 -45.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.186 -2.239 0 CA-C-O 115.828 -2.035 . . . . 0.0 108.48 -171.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.195 -1.777 0 CA-C-N 125.415 3.734 . . . . 0.0 113.585 -168.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG2' HH21 ' A' ' 33' ' ' ARG . 98.8 mttt . . . . . 0 N--CA 1.435 -1.199 0 CA-C-O 115.556 -2.164 . . . . 0.0 105.959 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 pp -132.58 161.6 33.42 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.096 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.752 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -118.15 137.93 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 127.938 3.274 . . . . 0.0 105.108 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 38' ' ' PHE . 95.2 mt -112.86 147.47 36.92 Favored 'General case' 0 CA--C 1.485 -1.541 0 CA-C-N 120.455 1.479 . . . . 0.0 107.917 168.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -55.44 145.52 22.35 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.093 1.357 . . . . 0.0 110.859 170.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.22 -46.13 85.21 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.72 162.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -61.87 -48.8 78.91 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.089 1.768 . . . . 0.0 115.295 -148.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 178.419 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.939 0.876 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.662 HG23 HG13 ' A' ' 6' ' ' VAL . 31.6 m -69.85 -31.37 47.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.259 -171.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.752 ' OE1' HG21 ' A' ' 6' ' ' VAL . 29.4 tp10 -64.99 -42.46 94.49 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.805 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD22 ' HD2' ' A' ' 57' ' ' LYS . 92.0 mt -60.53 -47.52 85.8 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 121.506 1.957 . . . . 0.0 112.543 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.21 -41.27 98.22 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 113.604 -1.634 . . . . 0.0 111.631 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.82 -35.56 72.55 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 124.934 1.396 . . . . 0.0 112.293 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' HG3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -58.19 -53.4 58.7 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.642 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -61.13 -49.62 76.52 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.946 0.899 . . . . 0.0 108.971 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.08 -41.0 59.69 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 115.958 -1.973 . . . . 0.0 113.05 -171.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 87.6 mt-10 -57.02 -46.35 82.43 Favored 'General case' 0 CA--C 1.462 -2.437 0 CA-C-N 120.444 1.475 . . . . 0.0 110.588 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -57.7 -64.79 0.78 Allowed 'General case' 0 C--O 1.3 3.757 0 O-C-N 126.169 2.168 . . . . 0.0 109.84 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -54.13 -43.81 70.83 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 125.29 1.436 . . . . 0.0 110.7 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.19 -45.35 63.59 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 125.466 1.729 . . . . 0.0 110.159 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -154.11 162.81 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.099 1.759 . . . . 0.0 114.583 -157.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -115.92 113.57 23.48 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 120.012 3.338 . . . . 0.0 120.012 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 16.3 ptm180 -167.49 169.72 11.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.502 1.121 . . . . 0.0 110.727 -141.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 72.1 p -137.52 156.98 47.5 Favored 'General case' 0 C--O 1.265 1.886 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.398 -160.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.542 HG21 HG23 ' A' ' 6' ' ' VAL . 75.9 mt -131.95 149.6 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 123.162 1.458 . . . . 0.0 110.99 -173.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' C ' HG22 ' A' ' 35' ' ' ILE . 33.1 m-85 -100.35 127.25 46.71 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.941 158.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -97.25 114.73 26.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.835 171.09 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.899 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -93.91 97.64 10.51 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 125.361 1.464 . . . . 0.0 109.617 172.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.763 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -136.21 147.34 60.03 Favored Pre-proline 0 C--O 1.208 -1.122 0 O-C-N 121.568 -0.708 . . . . 0.0 111.669 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.626 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 92.0 Cg_endo -61.05 150.53 83.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 117.031 1.897 . . . . 0.0 117.031 -131.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.0 m -72.27 -37.2 69.1 Favored 'General case' 0 C--O 1.205 -1.288 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 158.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.85 -43.17 84.32 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 126.257 1.823 . . . . 0.0 113.421 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.95 -22.99 13.04 Favored 'General case' 1 C--O 1.124 -5.526 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -169.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 67.9 -39.24 0.38 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 129.434 3.094 . . . . 0.0 115.336 -145.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.29 -47.89 83.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.353 1.861 . . . . 0.0 113.376 -132.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.724 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 84.1 m-20 -63.72 -37.27 86.73 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.0 ttp -64.3 -41.37 96.88 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 124.169 0.918 . . . . 0.0 108.927 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.96 -43.37 98.85 Favored 'General case' 0 C--O 1.205 -1.244 0 C-N-CA 123.73 0.812 . . . . 0.0 111.684 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -37.79 87.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.938 1.295 . . . . 0.0 111.944 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.57 90.47 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.64 -44.1 84.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 CA-C-O 124.216 1.96 . . . . 0.0 107.159 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.2 -39.78 78.43 Favored 'General case' 0 CA--C 1.475 -1.904 0 O-C-N 118.958 -2.338 . . . . 0.0 113.965 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -58.8 -40.64 84.66 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.998 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.8 m-85 -74.11 -34.21 63.85 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.64 1.21 . . . . 0.0 109.415 -162.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.07 -35.24 76.31 Favored 'General case' 0 C--O 1.204 -1.329 0 C-N-CA 127.427 2.291 . . . . 0.0 114.34 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.73 -43.39 98.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 120.639 1.563 . . . . 0.0 114.133 168.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.627 ' HD2' HD22 ' A' ' 21' ' ' LEU . 99.3 mttt -121.98 134.41 54.82 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.05 -2.65 62.51 Favored Glycine 0 C--O 1.22 -0.755 0 C-N-CA 130.607 3.956 . . . . 0.0 119.5 -159.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.555 ' HB2' HD22 ' A' ' 24' ' ' LEU . 98.2 m-70 -77.63 -38.26 48.33 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-N 123.247 3.523 . . . . 0.0 117.679 -165.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 10.0 t -69.24 151.24 46.53 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 119.002 -2.311 . . . . 0.0 111.162 -177.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.82 -38.51 18.07 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 101.066 -3.679 . . . . 0.0 101.066 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.61 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 53.9 t80 -158.67 158.6 34.08 Favored 'General case' 0 N--CA 1.412 -2.358 0 O-C-N 125.069 1.481 . . . . 0.0 111.541 -175.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.045 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -131.07 130.85 43.74 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.61 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 45.4 t0 -143.88 163.77 32.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 119.754 1.161 . . . . 0.0 111.196 174.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.19 167.54 17.64 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 118.784 -2.447 . . . . 0.0 109.897 170.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.585 HG21 ' CG2' ' A' ' 68' ' ' VAL . 33.0 m -70.29 152.98 8.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 34.1 mmt180 -92.03 57.35 3.1 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-N 120.822 1.646 . . . . 0.0 113.416 140.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.585 ' CG2' HG21 ' A' ' 66' ' ' VAL . 33.3 m -102.7 19.94 3.22 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.55 0 O-C-N 117.095 -3.503 . . . . 0.0 107.781 127.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 79.1 p -66.01 -39.57 90.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 118.589 -2.569 . . . . 0.0 111.97 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -62.01 -43.03 99.71 Favored 'General case' 0 C--O 1.17 -3.103 0 O-C-N 124.477 1.111 . . . . 0.0 109.408 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -74.29 -43.22 57.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -120.84 -53.46 2.07 Favored 'General case' 0 CA--C 1.472 -2.046 0 O-C-N 126.398 2.311 . . . . 0.0 106.487 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 17.8 tppt? 51.88 47.07 25.5 Favored 'General case' 0 C--O 1.191 -1.977 0 CA-C-O 124.17 1.938 . . . . 0.0 112.209 -171.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -102.94 -31.89 10.02 Favored 'General case' 0 N--CA 1.484 1.269 1 O-C-N 114.847 -4.908 . . . . 0.0 110.881 162.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 48.4 m-85 -112.92 126.18 55.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.092 1.425 . . . . 0.0 109.289 -147.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 84.6 mt -93.67 138.32 32.02 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.63 -2.077 . . . . 0.0 113.807 155.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.782 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.2 t80 -106.35 114.4 28.49 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.644 ' C ' HD12 ' A' ' 79' ' ' LEU . 48.0 tt0 -135.4 124.76 24.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -167.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.782 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.9 mp -118.32 137.42 53.09 Favored 'General case' 0 CA--C 1.488 -1.433 0 O-C-N 119.879 -1.763 . . . . 0.0 106.393 -160.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 77.0 m-70 -118.63 116.21 26.14 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 118.897 0.771 . . . . 0.0 111.504 -165.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.748 HG22 ' O ' ' A' ' 81' ' ' ILE . 25.7 mm 46.03 55.23 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -161.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 82' ' ' ILE . 59.1 mt . . . . . 0 C--O 1.298 3.652 0 O-C-N 117.86 -3.025 . . . . 0.0 116.996 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.0 mttt . . . . . 0 N--CA 1.429 -1.522 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -122.78 156.09 35.21 Favored 'General case' 0 CA--C 1.484 -1.569 0 C-N-CA 116.564 -2.055 . . . . 0.0 110.547 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.994 HG11 ' HB3' ' A' ' 20' ' ' GLU . 67.7 t -121.32 146.52 26.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 126.444 2.34 . . . . 0.0 108.276 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' A' ' 38' ' ' PHE . 96.8 mt -116.5 134.9 54.32 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 119.484 -2.01 . . . . 0.0 105.919 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -56.93 143.86 36.01 Favored 'General case' 0 N--CA 1.411 -2.392 0 C-N-CA 129.856 3.262 . . . . 0.0 107.384 162.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.09 -46.02 90.95 Favored 'General case' 0 CA--C 1.565 1.52 0 O-C-N 127.542 3.026 . . . . 0.0 111.199 165.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.03 -43.69 94.81 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 115.646 -2.422 . . . . 0.0 108.511 -136.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.546 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.421 -1.91 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.43 -47.15 88.87 Favored 'Isoleucine or valine' 0 C--N 1.371 1.518 0 O-C-N 126.922 2.639 . . . . 0.0 116.387 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 1.059 ' O ' HD13 ' A' ' 24' ' ' LEU . 23.8 pt-20 -60.82 -46.35 90.89 Favored 'General case' 1 C--O 1.105 -6.525 0 CA-C-O 124.842 2.258 . . . . 0.0 111.87 179.124 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 96.5 mt -63.72 -44.28 94.07 Favored 'General case' 0 N--CA 1.487 1.407 1 O-C-N 113.567 -5.708 . . . . 0.0 107.854 -176.36 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -78.39 -33.4 48.84 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.947 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -63.4 -35.23 79.74 Favored 'General case' 0 CA--C 1.463 -2.383 0 O-C-N 120.845 -1.159 . . . . 0.0 108.787 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 20' ' ' GLU . 9.2 mp -65.27 -45.85 82.82 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 117.133 -3.479 . . . . 0.0 108.361 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.464 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 64.0 m-85 -58.96 -50.92 72.25 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -74.91 -43.78 52.36 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 116.836 -1.946 . . . . 0.0 114.348 -159.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.982 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 64.0 mt-10 -64.65 -45.12 88.1 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 126.153 2.158 . . . . 0.0 105.625 -172.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.801 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -53.15 -61.2 2.45 Favored 'General case' 1 C--O 1.31 4.289 0 C-N-CA 124.397 1.079 . . . . 0.0 110.8 177.524 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -57.94 -45.81 86.04 Favored 'General case' 0 CA--C 1.487 -1.469 0 O-C-N 126.294 2.246 . . . . 0.0 111.585 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -80.41 -41.11 25.14 Favored 'General case' 0 CA--C 1.483 -1.633 0 O-C-N 126.327 2.267 . . . . 0.0 111.94 -173.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.714 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 6.1 p30 -148.18 171.51 15.8 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.955 -1.09 . . . . 0.0 111.172 -171.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -119.64 115.81 24.71 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 171.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.982 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ptm180 -165.3 168.29 17.05 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.701 -1.249 . . . . 0.0 107.837 -137.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.924 ' CB ' HD23 ' A' ' 79' ' ' LEU . 91.1 p -127.83 161.34 29.24 Favored 'General case' 0 C--N 1.275 -2.673 0 O-C-N 119.008 -2.307 . . . . 0.0 105.436 -178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.689 HD11 ' OE1' ' A' ' 78' ' ' GLU . 31.5 pt -133.52 160.31 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 127.774 2.43 . . . . 0.0 112.995 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 26.9 m-85 -107.94 118.23 36.22 Favored 'General case' 0 CA--C 1.481 -1.71 0 C-N-CA 129.894 3.278 . . . . 0.0 106.158 168.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -97.77 126.14 42.96 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' HB2' HD23 ' A' ' 7' ' ' LEU . 93.8 m-85 -106.61 116.61 32.23 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -155.68 140.36 11.97 Favored Pre-proline 0 CA--C 1.485 -1.531 0 O-C-N 126.154 2.159 . . . . 0.0 115.305 -176.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 86.4 Cg_endo -69.14 148.96 70.27 Favored 'Trans proline' 1 CA--C 1.62 4.809 0 C-N-CA 116.51 -1.86 . . . . 0.0 116.888 -119.22 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 72' ' ' GLU . 58.6 m -63.69 -43.98 95.05 Favored 'General case' 1 C--N 1.439 4.481 0 O-C-N 125.015 1.447 . . . . 0.0 108.317 167.325 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.4 -43.93 97.66 Favored 'General case' 0 N--CA 1.503 2.213 1 C-N-CA 132.376 4.27 . . . . 0.0 118.537 -170.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.12 -20.01 12.08 Favored 'General case' 0 CA--C 1.481 -1.684 0 N-CA-C 119.581 3.178 . . . . 0.0 119.581 173.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.5 m80 54.27 39.26 30.68 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.879 0.872 . . . . 0.0 112.962 -167.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.57 -50.81 2.83 Favored 'General case' 0 CA--C 1.474 -1.956 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.5 -167.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.74 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.7 m-20 -60.69 -37.65 82.34 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 115.303 -2.559 . . . . 0.0 111.368 171.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 1.078 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.4 ttp -61.81 -43.59 98.54 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 119.107 3.003 . . . . 0.0 119.107 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.53 -40.1 93.45 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.004 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.9 mttt -63.75 -37.13 86.21 Favored 'General case' 0 C--O 1.199 -1.561 0 O-C-N 124.072 0.858 . . . . 0.0 111.941 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -59.49 -41.49 89.94 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.16 -49.13 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 99.3 m-20 -64.71 -46.89 80.38 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.312 1.445 . . . . 0.0 111.038 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 23.1 m-30 -65.51 -44.65 86.32 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 115.188 -2.605 . . . . 0.0 117.512 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' HD2' HD22 ' A' ' 63' ' ' LEU . 14.9 m-30 -63.07 -33.56 75.7 Favored 'General case' 0 CA--C 1.477 -1.834 0 O-C-N 128.274 3.484 . . . . 0.0 107.206 -170.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.96 -40.63 78.8 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 98.3 mt-10 -52.75 -28.61 22.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -116.62 150.07 38.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 128.825 2.85 . . . . 0.0 115.913 176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.08 -10.7 86.03 Favored Glycine 0 CA--C 1.491 -1.414 0 O-C-N 126.295 2.247 . . . . 0.0 116.295 -171.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.476 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 99.3 m-70 -62.06 -44.79 95.92 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -170.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.438 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 11.5 t -67.01 153.27 44.07 Favored 'General case' 0 N--CA 1.408 -2.571 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.52 -48.61 5.2 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 128.854 2.862 . . . . 0.0 108.476 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -143.06 148.02 36.01 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 ' HD2' ' A' ' 54' ' ' PHE . 58.4 tp -125.65 143.96 50.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 157.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -150.47 -176.57 5.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 118.685 0.675 . . . . 0.0 109.299 168.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.01 167.37 16.95 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 116.741 -3.725 . . . . 0.0 104.329 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 94.9 t -93.05 142.02 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.566 139.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 28.3 mmt180 -84.94 19.14 2.2 Favored 'General case' 1 C--O 1.147 -4.293 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 22.2 m -82.72 2.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.97 0 O-C-N 118.466 -2.647 . . . . 0.0 104.484 146.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 98.7 p -64.68 -42.45 95.34 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 101.75 -3.426 . . . . 0.0 101.75 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -60.06 -38.85 84.03 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 124.687 1.242 . . . . 0.0 111.828 -171.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -81.98 -45.37 15.45 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 41' ' ' THR . 99.7 mt-10 -102.33 -35.72 8.72 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 126.508 2.38 . . . . 0.0 105.032 -167.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 53.92 42.49 31.68 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.844 3.257 . . . . 0.0 118.552 -154.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -94.0 -29.86 15.01 Favored 'General case' 0 N--CA 1.522 3.142 0 C-N-CA 116.555 -2.058 . . . . 0.0 113.758 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -145.7 101.04 3.51 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 118.113 -2.867 . . . . 0.0 103.898 -111.034 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.078 HD11 ' HG3' ' A' ' 47' ' ' MET . 81.1 mt -113.65 135.36 54.01 Favored 'General case' 0 CA--C 1.462 -2.414 0 O-C-N 125.516 1.76 . . . . 0.0 108.361 -164.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 63' ' ' LEU . 65.8 t80 -106.51 107.18 18.06 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.637 1.575 . . . . 0.0 108.825 -172.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.689 ' OE1' HD11 ' A' ' 35' ' ' ILE . 88.1 tt0 -116.36 139.88 49.94 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 125.847 1.659 . . . . 0.0 106.86 -174.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.034 HD13 HD12 ' A' ' 82' ' ' ILE . 21.4 mt -125.74 134.17 51.85 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 67.4 m80 -111.08 120.76 43.41 Favored 'General case' 0 CA--C 1.465 -2.309 0 C-N-CA 126.482 1.913 . . . . 0.0 113.991 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.821 HG22 ' O ' ' A' ' 81' ' ' ILE . 46.2 mm 41.43 53.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 118.98 2.956 . . . . 0.0 118.98 -166.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.034 HD12 HD13 ' A' ' 79' ' ' LEU . 20.2 tt . . . . . 0 N--CA 1.518 2.966 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 -164.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 C--O 1.248 1.008 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.0 pp -135.1 161.1 36.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 160.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.767 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -125.15 120.97 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.577 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 38' ' ' PHE . 80.9 mt -93.96 145.99 24.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 123.519 1.628 . . . . 0.0 108.472 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.522 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -71.51 151.78 43.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 124.657 2.17 . . . . 0.0 112.302 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -86.18 -30.93 22.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 111.708 -2.496 . . . . 0.0 113.15 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -63.11 -45.87 89.98 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 122.704 2.502 . . . . 0.0 111.32 -167.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.242 0.664 0 C-N-CA 118.237 -1.385 . . . . 0.0 113.386 173.399 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.56 -38.83 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 C-N-CA 125.467 1.507 . . . . 0.0 111.712 -155.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.767 ' OE1' HG21 ' A' ' 6' ' ' VAL . 49.9 tp10 -64.23 -41.39 97.03 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 117.48 -1.688 . . . . 0.0 111.572 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 96.0 mt -60.21 -45.11 94.29 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.445 -1.409 . . . . 0.0 111.927 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -39.33 93.45 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 115.225 -2.321 . . . . 0.0 113.601 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.3 -44.26 95.52 Favored 'General case' 0 CA--C 1.481 -1.679 0 O-C-N 125.135 1.522 . . . . 0.0 107.077 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD23 ' NE2' ' A' ' 80' ' ' HIS . 80.1 mt -54.61 -57.49 11.21 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 122.507 1.146 . . . . 0.0 109.752 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -66.59 -49.97 64.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.14 -176.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.36 -45.15 85.29 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.294 1.045 . . . . 0.0 110.176 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.903 ' OE1' HD11 ' A' ' 35' ' ' ILE . 97.1 mt-10 -74.82 -37.62 62.27 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 115.291 -2.29 . . . . 0.0 114.611 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 81' ' ' ILE . 5.4 t80 -56.56 -45.14 81.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.95 1.406 . . . . 0.0 108.596 173.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.9 p -73.59 -40.37 63.93 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.183 -1.573 . . . . 0.0 114.404 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -71.68 -40.68 69.43 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 119.914 1.233 . . . . 0.0 113.189 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.11 165.91 32.4 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 123.219 0.608 . . . . 0.0 111.779 -164.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 81' ' ' ILE . 96.1 mttt -118.42 118.48 31.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 118.278 -2.764 . . . . 0.0 114.868 168.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 11.5 ptp180 -160.68 172.38 17.2 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 120.738 -1.226 . . . . 0.0 112.321 -145.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.8 p -136.2 160.11 39.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 119.132 0.878 . . . . 0.0 111.479 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.903 HD11 ' OE1' ' A' ' 27' ' ' GLU . 95.1 mt -132.71 144.9 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 124.677 2.179 . . . . 0.0 111.585 -168.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -98.2 138.68 35.12 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 120.277 -1.514 . . . . 0.0 111.267 167.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 12.2 t80 -115.37 107.29 15.03 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 7' ' ' LEU . 4.8 t80 -90.53 101.07 13.81 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -143.6 152.94 57.67 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 172.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 66.5 Cg_endo -67.36 146.18 74.2 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.788 1.659 . . . . 0.0 110.923 -120.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.7 m -61.69 -42.71 99.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 124.174 0.921 . . . . 0.0 108.579 160.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.11 -61.65 1.95 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 117.34 -1.744 . . . . 0.0 107.788 -156.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.61 84.06 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 73' ' ' LYS . 87.3 m-70 73.2 -14.24 0.63 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.076 2.15 . . . . 0.0 116.096 -151.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.67 -47.44 69.49 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 119.159 -2.213 . . . . 0.0 116.16 -158.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 83.1 m-20 -64.57 -35.95 82.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.901 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.41 ' H ' ' HD2' ' A' ' 40' ' ' PRO . 63.7 ttp -64.86 -41.17 95.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.529 1.143 . . . . 0.0 110.812 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.19 -40.82 94.74 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.47 -36.63 83.09 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.588 173.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -56.53 -45.54 81.07 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 119.299 0.954 . . . . 0.0 111.98 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.41 -45.62 78.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.043 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.32 -44.81 86.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.81 -34.95 78.35 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.267 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.761 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.4 m-85 -75.2 -33.9 61.46 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 122.031 -0.418 . . . . 0.0 111.603 -168.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.11 -40.45 94.52 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 125.329 1.452 . . . . 0.0 111.252 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.24 -35.04 76.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.175 0.99 . . . . 0.0 112.522 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HZ2' ' HB3' ' A' ' 21' ' ' LEU . 97.1 mttt -121.01 133.31 55.26 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 117.644 -1.17 . . . . 0.0 113.26 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 4.36 68.54 Favored Glycine 0 CA--C 1.557 2.699 0 C-N-CA 130.497 3.903 . . . . 0.0 122.453 -163.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m-70 -79.64 -38.67 33.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 121.459 2.629 . . . . 0.0 117.916 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.9 t -56.68 140.35 47.47 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 120.202 -1.562 . . . . 0.0 112.396 166.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -68.14 -48.24 65.91 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.141 -0.974 . . . . 0.0 110.104 163.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -158.83 153.21 24.11 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 76' ' ' LEU . 4.8 tt -124.8 138.48 54.27 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 120.638 1.563 . . . . 0.0 113.223 164.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.617 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.9 t0 -137.01 168.55 19.38 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 163.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.545 ' HB2' HH12 ' A' ' 67' ' ' ARG . 96.4 mt-10 -70.12 172.91 7.24 Favored 'General case' 0 C--O 1.246 0.907 0 O-C-N 120.072 -1.642 . . . . 0.0 111.048 169.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 75' ' ' PHE . 34.8 m -79.35 162.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 119.06 -2.275 . . . . 0.0 112.644 148.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 65' ' ' GLU . 65.9 mmt-85 -98.76 52.32 0.99 Allowed 'General case' 0 C--O 1.206 -1.224 0 O-C-N 117.398 -3.314 . . . . 0.0 116.775 149.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -107.16 11.05 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.493 -1.38 . . . . 0.0 109.548 132.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.3 p -54.54 -42.54 71.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.1 m -65.67 -41.8 92.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.123 -161.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -76.15 -47.05 25.76 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 127.715 3.134 . . . . 0.0 113.554 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -130.07 -10.75 4.26 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 122.946 2.612 . . . . 0.0 116.98 -162.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 96.1 mttt 48.0 40.9 14.13 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -115.32 -34.11 5.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 122.707 2.503 . . . . 0.0 115.875 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 86.8 m-85 -106.45 121.39 44.17 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -171.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 63' ' ' LEU . 57.3 mt -77.83 152.76 33.28 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 156.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.74 ' CD2' HD11 ' A' ' 79' ' ' LEU . 60.8 t80 -110.74 112.38 24.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 124.837 1.255 . . . . 0.0 109.491 157.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.557 ' C ' HD12 ' A' ' 79' ' ' LEU . 42.6 tt0 -131.36 132.2 44.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 123.01 1.386 . . . . 0.0 111.29 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.96 ' CD2' HD12 ' A' ' 82' ' ' ILE . 4.4 mp -117.35 127.4 54.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 119.514 -1.991 . . . . 0.0 108.612 -158.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.629 ' NE2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -108.96 119.68 40.28 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 120.347 1.43 . . . . 0.0 108.666 -168.022 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.578 HD13 ' HE2' ' A' ' 32' ' ' LYS . 20.5 tt 32.62 61.9 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 123.188 1.471 . . . . 0.0 114.448 -164.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.96 HD12 ' CD2' ' A' ' 79' ' ' LEU . 21.2 tt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 120.695 3.591 . . . . 0.0 120.695 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.44 -0.967 0 CA-C-O 116.221 -1.847 . . . . 0.0 114.333 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 36' ' ' PHE . 96.4 mt -76.2 165.63 24.62 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 123.725 2.966 . . . . 0.0 112.732 173.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.835 HG21 ' OE1' ' A' ' 20' ' ' GLU . 86.3 t -124.51 148.78 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 C-N-CA 128.834 2.854 . . . . 0.0 109.29 142.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -107.92 146.07 32.89 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -60.89 155.58 19.41 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 127.146 2.178 . . . . 0.0 111.463 158.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -62.8 -44.81 95.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 161.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -36.15 82.1 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.394 1.477 . . . . 0.0 112.005 -156.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 40' ' ' PRO . 41.8 p . . . . . 0 C--N 1.321 -0.638 0 C-N-CA 115.777 -2.369 . . . . 0.0 113.443 -173.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 p . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 119.425 3.121 . . . . 0.0 119.425 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.42 -40.6 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -161.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.835 ' OE1' HG21 ' A' ' 6' ' ' VAL . 37.1 tp10 -64.79 -43.75 92.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 117.756 -1.578 . . . . 0.0 109.347 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.25 -47.35 85.67 Favored 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 118.145 -1.422 . . . . 0.0 111.998 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.69 -40.07 95.97 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.75 -32.52 72.33 Favored 'General case' 0 CA--C 1.476 -1.896 0 O-C-N 124.403 1.064 . . . . 0.0 110.218 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 80' ' ' HIS . 53.9 mt -54.68 -54.38 42.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.932 0.873 . . . . 0.0 109.399 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -64.87 -47.98 75.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.157 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.52 -45.43 65.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.429 1.081 . . . . 0.0 113.276 -168.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.564 ' OE2' HD11 ' A' ' 35' ' ' ILE . 99.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 CA--C 1.479 -1.771 0 O-C-N 125.144 1.527 . . . . 0.0 111.13 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.23 -49.18 78.18 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 124.645 1.215 . . . . 0.0 111.391 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -65.61 -41.06 93.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.181 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -87.21 -42.89 12.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -170.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -132.69 159.32 39.98 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 126.982 2.113 . . . . 0.0 109.165 -163.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 97.2 mttt -106.74 129.95 54.54 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 119.136 -2.228 . . . . 0.0 110.091 157.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' SER . 15.9 ttm180 -155.64 158.69 38.74 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.157 -0.964 . . . . 0.0 111.706 -143.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.592 ' HB2' HD23 ' A' ' 79' ' ' LEU . 84.7 p -126.0 164.4 20.92 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.364 161.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.564 HD11 ' OE2' ' A' ' 27' ' ' GLU . 47.7 mm -132.3 156.48 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 125.027 1.331 . . . . 0.0 109.437 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' A' ' 5' ' ' LEU . 47.2 m-85 -117.49 129.27 55.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.377 1.871 . . . . 0.0 109.005 160.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 89.0 t80 -107.26 107.7 18.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 61.4 t80 -85.28 91.28 8.12 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 127.094 2.158 . . . . 0.0 110.035 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.535 ' CB ' ' CE2' ' A' ' 37' ' ' TYR . . . -141.25 147.06 45.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 O-C-N 119.971 -1.706 . . . . 0.0 114.168 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 72.9 Cg_endo -65.9 149.43 86.43 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 CA-C-O 118.117 -0.868 . . . . 0.0 114.121 -115.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.484 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 9.8 t -68.74 -32.0 71.47 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-O 117.375 -1.298 . . . . 0.0 111.206 166.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' THR . 94.9 m-20 -77.91 -38.52 45.42 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 129.502 3.121 . . . . 0.0 117.055 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -121.3 -9.98 9.0 Favored 'General case' 0 C--O 1.182 -2.461 0 CA-C-O 114.636 -2.602 . . . . 0.0 116.708 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 48.27 41.78 16.69 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 130.408 3.483 . . . . 0.0 106.171 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 97.1 mttt -118.0 -43.78 2.74 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.077 1.308 . . . . 0.0 108.875 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 69.4 m-20 -60.26 -39.08 85.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 117.908 -1.517 . . . . 0.0 110.19 165.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.475 ' CE ' ' HE3' ' A' ' 73' ' ' LYS . 25.4 ptm -67.49 -39.26 85.2 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 117.857 -3.027 . . . . 0.0 115.981 177.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.42 -39.52 94.01 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 119.685 1.13 . . . . 0.0 109.464 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.22 -35.36 80.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.669 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.39 -41.83 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.78 -44.13 85.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 O-C-N 124.219 0.95 . . . . 0.0 108.643 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.97 -45.43 93.69 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.47 -39.32 83.3 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.998 ' HD2' HD22 ' A' ' 63' ' ' LEU . 10.8 m-85 -74.49 -35.6 63.24 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 125.838 1.962 . . . . 0.0 107.749 -161.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.19 -46.34 74.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 128.466 2.707 . . . . 0.0 111.728 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -49.63 -38.94 34.05 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 123.047 2.658 . . . . 0.0 112.859 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 99.1 mttt -99.06 152.6 19.66 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 126.673 2.483 . . . . 0.0 114.822 176.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.86 -8.98 87.5 Favored Glycine 0 CA--C 1.527 0.789 0 O-C-N 120.731 -1.23 . . . . 0.0 113.706 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 64.1 m170 -58.16 -34.42 70.29 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -156.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -100.2 139.77 35.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.283 1.833 . . . . 0.0 113.986 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.26 81.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.412 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -163.93 164.34 23.32 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 124.272 0.982 . . . . 0.0 111.262 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.998 HD22 ' HD2' ' A' ' 54' ' ' PHE . 46.0 tp -130.17 140.51 50.75 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 163.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.34 173.85 11.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.533 -0.729 . . . . 0.0 109.502 168.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.43 166.83 20.88 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 119.641 -1.912 . . . . 0.0 112.242 165.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.849 HG12 ' H ' ' A' ' 68' ' ' VAL . 44.6 t -85.58 135.72 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 144.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.674 ' HA ' ' H ' ' A' ' 69' ' ' SER . 78.9 mtt-85 -88.25 65.22 7.97 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 118.02 -2.925 . . . . 0.0 117.326 149.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.849 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.7 m -95.14 17.5 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 128.777 2.831 . . . . 0.0 110.271 117.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.674 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 80.0 p -62.59 -40.05 95.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 120.053 -1.655 . . . . 0.0 112.032 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.4 p -63.32 -36.64 84.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 121.156 -0.965 . . . . 0.0 108.414 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -75.68 -41.5 53.67 Favored 'General case' 0 C--O 1.206 -1.198 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.89 -49.63 1.6 Allowed 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -165.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HE3' ' CE ' ' A' ' 47' ' ' MET . 50.8 tptt 65.43 15.72 10.17 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.667 2.387 . . . . 0.0 114.21 172.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 41' ' ' THR . 5.3 m-20 -71.06 -36.42 72.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 162.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -106.73 115.02 29.48 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 122.379 1.085 . . . . 0.0 113.179 -162.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 80.4 mt -84.4 150.82 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 113.49 -1.686 . . . . 0.0 109.102 158.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -130.66 131.78 45.07 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 118.847 -1.141 . . . . 0.0 113.996 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -137.14 146.41 44.97 Favored 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -152.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.125 HD13 HD12 ' A' ' 82' ' ' ILE . 78.9 mt -130.68 134.71 47.17 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 117.626 -1.63 . . . . 0.0 108.465 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.672 ' CE1' HD23 ' A' ' 24' ' ' LEU . 24.6 m170 -118.1 104.38 10.78 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.66 ' O ' HG22 ' A' ' 82' ' ' ILE . 80.8 mt 77.38 -48.89 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-O 114.404 -2.712 . . . . 0.0 108.078 -172.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.125 HD12 HD13 ' A' ' 79' ' ' LEU . 19.7 tt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 114.011 -2.899 . . . . 0.0 112.063 -165.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.578 ' C ' HD12 ' A' ' 5' ' ' LEU . 61.3 pttt . . . . . 0 C--O 1.185 -2.296 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.1 mp -121.65 160.75 23.78 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 117.599 -1.641 . . . . 0.0 106.764 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 1.0 HG23 HD11 ' A' ' 35' ' ' ILE . 80.0 t -126.62 151.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 126.772 2.029 . . . . 0.0 108.757 168.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.37 136.0 54.0 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 124.991 1.316 . . . . 0.0 107.625 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.45 142.32 46.86 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 127.397 2.279 . . . . 0.0 111.955 164.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.16 -27.3 67.18 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 130.759 3.623 . . . . 0.0 115.642 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -88.76 -8.77 53.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 CA-C-N 125.122 3.601 . . . . 0.0 111.85 -168.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.179 -2.63 0 CA-C-N 125.489 3.768 . . . . 0.0 119.973 162.014 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 HG22 ' A' ' 6' ' ' VAL . 63.6 t -66.1 -40.73 87.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -155.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB3' HG11 ' A' ' 6' ' ' VAL . 21.7 pt-20 -59.98 -44.58 94.4 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 120.399 -1.438 . . . . 0.0 111.693 174.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -44.73 90.37 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 117.546 -1.662 . . . . 0.0 107.899 -174.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -40.33 84.16 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 58.3 t0 -65.54 -38.17 88.85 Favored 'General case' 0 C--O 1.174 -2.899 0 O-C-N 125.277 1.61 . . . . 0.0 108.222 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.677 HD23 ' CD2' ' A' ' 80' ' ' HIS . 71.8 mt -57.21 -54.84 42.2 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.053 -1.654 . . . . 0.0 111.462 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -58.86 -52.76 64.34 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -75.68 -36.15 60.15 Favored 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 125.747 1.904 . . . . 0.0 111.063 -167.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.678 ' OE2' ' HB3' ' A' ' 33' ' ' ARG . 79.7 tt0 -65.09 -41.39 95.03 Favored 'General case' 0 CA--C 1.463 -2.397 0 O-C-N 120.542 -1.349 . . . . 0.0 110.177 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -56.66 -51.69 67.79 Favored 'General case' 0 N--CA 1.402 -2.863 0 O-C-N 126.671 2.482 . . . . 0.0 109.029 -179.659 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -66.49 -36.35 82.52 Favored 'General case' 0 C--N 1.39 2.343 0 N-CA-C 118.774 2.879 . . . . 0.0 118.774 -173.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.07 -45.32 58.04 Favored 'General case' 0 C--O 1.187 -2.212 0 C-N-CA 128.218 2.607 . . . . 0.0 112.118 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -158.4 163.96 36.73 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.278 -166.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -108.9 119.38 39.39 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.519 -1.988 . . . . 0.0 114.28 169.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HB3' ' OE2' ' A' ' 27' ' ' GLU . 15.0 mtt180 -167.97 169.35 11.38 Favored 'General case' 0 CA--C 1.473 -1.998 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -148.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -134.5 155.37 50.5 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 6' ' ' VAL . 13.4 tt -125.29 153.98 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 C-N-CA 126.134 1.774 . . . . 0.0 108.18 -167.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.629 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 84.5 m-85 -107.32 132.02 53.58 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 111.388 -2.642 . . . . 0.0 111.849 157.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.1 t80 -111.61 112.12 23.6 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.064 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . 51.1 t80 -88.57 98.16 11.5 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.092 1.357 . . . . 0.0 109.641 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -140.2 149.85 59.58 Favored Pre-proline 0 CA--C 1.487 -1.471 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.028 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.2 Cg_endo -69.78 156.16 64.03 Favored 'Trans proline' 0 C--O 1.194 -1.694 0 O-C-N 125.267 2.193 . . . . 0.0 112.569 -123.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.6 m -70.02 -39.62 75.69 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-O 124.434 2.064 . . . . 0.0 111.271 159.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.52 -45.26 72.71 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 130.758 3.623 . . . . 0.0 113.025 -156.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.42 -46.78 4.68 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.349 -2.205 . . . . 0.0 114.282 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.8 m80 79.73 2.39 2.15 Favored 'General case' 0 C--O 1.192 -1.938 0 C-N-CA 130.511 3.524 . . . . 0.0 115.637 -162.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.42 -53.0 49.39 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 119.918 3.303 . . . . 0.0 119.918 -171.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.755 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -63.02 -36.5 83.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 125.601 1.813 . . . . 0.0 109.676 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.591 ' HG3' HD11 ' A' ' 76' ' ' LEU . 55.6 ttm -65.71 -42.7 90.82 Favored 'General case' 0 N--CA 1.426 -1.639 0 O-C-N 123.684 0.615 . . . . 0.0 112.512 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.16 -43.44 98.26 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 119.381 -0.927 . . . . 0.0 111.208 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.96 -36.09 80.4 Favored 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.81 97.3 Favored 'General case' 0 N--CA 1.409 -2.493 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -55.49 -46.32 78.79 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.812 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -64.6 -47.35 78.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.115 1.509 . . . . 0.0 112.167 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -55.73 -37.36 68.33 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 121.855 2.116 . . . . 0.0 109.412 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.888 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.6 m-85 -73.24 -35.68 66.29 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 116.922 -1.911 . . . . 0.0 108.757 -158.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.11 -42.79 88.73 Favored 'General case' 0 C--O 1.187 -2.212 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.926 167.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.97 -25.99 64.05 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.253 -2.78 . . . . 0.0 114.459 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -118.37 149.91 40.41 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.944 2.098 . . . . 0.0 114.027 177.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.01 -12.05 83.59 Favored Glycine 0 C--N 1.396 3.899 0 N-CA-C 117.767 1.867 . . . . 0.0 117.767 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -61.3 -43.27 99.15 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.702 1.239 . . . . 0.0 113.069 -155.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 11.1 t -81.08 148.52 29.62 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.522 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -93.6 -44.85 8.0 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 109.7 175.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 79' ' ' LEU . 93.3 m-85 -135.67 158.17 45.06 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 126.112 2.132 . . . . 0.0 112.594 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' HD2' ' A' ' 54' ' ' PHE . 54.8 tp -136.49 137.08 39.97 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.776 -1.203 . . . . 0.0 112.863 164.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.48 160.55 26.34 Favored 'General case' 0 C--N 1.4 2.798 0 C-N-CA 118.484 -1.286 . . . . 0.0 109.902 168.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.42 151.83 39.93 Favored 'General case' 0 C--O 1.189 -2.13 0 O-C-N 120.46 -1.4 . . . . 0.0 113.953 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.893 HG12 ' H ' ' A' ' 68' ' ' VAL . 71.2 t -73.39 138.71 20.76 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.088 0 C-N-CA 115.415 -2.514 . . . . 0.0 109.203 150.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -84.48 60.47 6.06 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 116.505 -3.872 . . . . 0.0 112.148 156.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.893 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -97.57 0.48 10.51 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 CA-C-O 123.322 1.534 . . . . 0.0 111.289 125.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 60.0 p -60.63 -44.69 96.06 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.6 m -61.0 -41.65 96.93 Favored 'General case' 0 C--O 1.192 -1.96 0 O-C-N 120.404 -1.435 . . . . 0.0 109.558 -171.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -67.48 -40.98 85.29 Favored 'General case' 0 C--O 1.187 -2.208 0 O-C-N 126.972 2.67 . . . . 0.0 117.028 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -155.58 24.7 0.4 Allowed 'General case' 0 C--N 1.38 1.915 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 57.22 39.42 28.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 116.615 -3.803 . . . . 0.0 118.087 150.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -121.47 -54.14 1.98 Allowed 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -162.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 58.0 m-85 -103.05 122.98 45.77 Favored 'General case' 0 C--O 1.264 1.853 0 O-C-N 120.893 -1.13 . . . . 0.0 112.593 -170.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 47' ' ' MET . 92.4 mt -88.64 140.52 29.37 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 126.008 1.723 . . . . 0.0 112.261 160.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 42.2 t80 -101.57 107.42 18.68 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.558 ' OE2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -117.4 124.19 48.27 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.189 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -123.6 137.72 54.69 Favored 'General case' 0 CA--C 1.493 -1.247 0 O-C-N 117.664 -3.147 . . . . 0.0 108.807 -170.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.677 ' CD2' HD23 ' A' ' 24' ' ' LEU . 2.8 m80 -114.08 124.3 51.76 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -159.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 81' ' ' ILE . 36.5 mm 42.92 48.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 79' ' ' LEU . 9.2 tp . . . . . 1 C--O 1.125 -5.463 1 O-C-N 115.91 -4.244 . . . . 0.0 112.243 166.785 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' HD12 ' A' ' 5' ' ' LEU . 97.2 mttt . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.907 HD23 ' HE1' ' A' ' 38' ' ' PHE . 5.6 mp -135.85 152.41 51.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 122.324 2.329 . . . . 0.0 105.613 -166.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.898 HG11 ' HB2' ' A' ' 20' ' ' GLU . 79.5 t -131.82 125.11 54.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-O 122.53 1.157 . . . . 0.0 110.132 -175.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.589 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.4 mt -97.88 149.29 22.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 119.054 -2.279 . . . . 0.0 108.536 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.84 145.27 45.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.552 2.741 . . . . 0.0 114.737 167.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.43 -21.09 33.04 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 117.143 -1.823 . . . . 0.0 114.217 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 84.9 m-20 -64.75 -40.85 95.99 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -164.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p . . . . . 0 C--O 1.203 -1.377 0 O-C-N 120.06 -1.65 . . . . 0.0 115.187 -176.386 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.1 -40.8 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 C-N-CA 129.867 3.267 . . . . 0.0 111.509 -172.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.898 ' HB2' HG11 ' A' ' 6' ' ' VAL . 46.0 tp10 -61.37 -45.44 94.38 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 ' HE3' ' A' ' 57' ' ' LYS . 96.2 mt -60.26 -50.63 72.89 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.372 -177.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.35 -40.25 95.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.258 -1.526 . . . . 0.0 114.43 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -33.27 71.71 Favored 'General case' 0 CA--C 1.468 -2.186 0 O-C-N 123.493 0.496 . . . . 0.0 110.946 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' ' 20' ' ' GLU . 4.5 mp -49.48 -60.29 2.98 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.16 0.505 . . . . 0.0 110.293 174.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 57' ' ' LYS . 56.9 m-85 -63.71 -48.44 77.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.604 -172.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -73.04 -41.4 64.23 Favored 'General case' 0 N--CA 1.401 -2.879 0 O-C-N 125.789 1.931 . . . . 0.0 113.116 -169.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.02 -45.24 93.42 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 124.392 1.077 . . . . 0.0 111.949 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 81' ' ' ILE . 41.3 t80 -62.26 -47.87 82.41 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 128.761 2.824 . . . . 0.0 112.87 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.1 p -67.05 -44.4 80.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 121.453 -0.78 . . . . 0.0 112.619 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.52 -31.14 20.09 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 124.658 1.224 . . . . 0.0 112.234 -168.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.4 164.87 33.73 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 119.608 1.095 . . . . 0.0 113.609 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE2' HD13 ' A' ' 81' ' ' ILE . 97.4 mttt -107.29 116.08 31.31 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 117.657 -3.152 . . . . 0.0 115.776 163.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 34' ' ' SER . 39.7 ttm180 -162.44 172.83 14.92 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 118.583 -2.573 . . . . 0.0 106.633 -142.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.876 ' HB2' HD23 ' A' ' 79' ' ' LEU . 90.5 p -149.5 154.8 39.34 Favored 'General case' 0 CA--C 1.483 -1.601 0 O-C-N 120.395 -1.44 . . . . 0.0 111.678 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.577 HD11 ' OE2' ' A' ' 20' ' ' GLU . 29.0 pt -136.09 168.13 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 O-C-N 125.674 1.858 . . . . 0.0 112.102 -169.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 29.5 m-85 -116.97 143.75 45.36 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 125.03 1.332 . . . . 0.0 108.413 168.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.697 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 5.4 t80 -114.57 118.51 33.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 118.862 -2.399 . . . . 0.0 104.623 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.907 ' HE1' HD23 ' A' ' 5' ' ' LEU . 87.6 m-85 -105.31 95.94 6.17 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -133.55 146.31 59.98 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 129.279 3.032 . . . . 0.0 117.278 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 91.0 Cg_exo -67.01 153.32 78.28 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 115.833 -2.312 . . . . 0.0 115.838 -121.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 92.9 m -65.89 -42.51 90.18 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 123.573 1.654 . . . . 0.0 112.56 163.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -70.26 -41.08 73.94 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 129.028 2.931 . . . . 0.0 116.756 -167.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -104.09 -34.06 8.55 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 171.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 85.0 m-70 61.42 36.5 17.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 118.147 2.647 . . . . 0.0 118.147 -165.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -113.36 -53.46 2.7 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.134 -160.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 82.7 m-20 -60.2 -36.52 77.85 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.584 1.803 . . . . 0.0 106.64 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.551 ' HG2' HD11 ' A' ' 76' ' ' LEU . 12.3 tmm? -66.3 -44.4 83.6 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.68 -40.33 83.27 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 122.045 0.926 . . . . 0.0 110.45 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.8 mttt -64.34 -36.9 85.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.697 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -55.03 -46.22 75.26 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.416 1.487 . . . . 0.0 112.532 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.27 -47.43 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -67.27 -46.25 74.24 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 19.0 m-30 -60.27 -40.14 89.31 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.575 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CD2' HD12 ' A' ' 63' ' ' LEU . 6.8 m-30 -75.73 -36.27 59.98 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 100.66 -3.83 . . . . 0.0 100.66 -155.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -45.74 84.72 Favored 'General case' 0 C--O 1.191 -1.991 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.436 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.6 -52.8 63.92 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 114.709 -2.567 . . . . 0.0 109.715 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.661 ' HE3' HD22 ' A' ' 21' ' ' LEU . 73.2 mmtt -54.12 -49.69 68.58 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -170.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.5 -30.84 8.67 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 126.131 1.824 . . . . 0.0 117.39 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -71.85 -40.8 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 119.205 3.039 . . . . 0.0 119.205 -167.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.626 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.8 t -61.65 153.77 27.07 Favored 'General case' 0 CA--C 1.481 -1.705 0 O-C-N 119.185 -2.197 . . . . 0.0 106.164 168.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -95.47 -37.55 10.86 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.452 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.4 t80 -160.55 157.33 27.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 127.087 2.742 . . . . 0.0 116.816 -173.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 54' ' ' PHE . 3.0 tt -140.08 140.65 36.14 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.495 -1.378 . . . . 0.0 113.192 168.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.567 ' N ' HD23 ' A' ' 63' ' ' LEU . 8.7 t0 -142.24 176.39 9.01 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.555 1.942 . . . . 0.0 108.192 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.28 167.62 14.65 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 121.176 0.512 . . . . 0.0 110.768 173.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 91.6 t -104.77 146.57 11.83 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 O-C-N 120.929 -1.107 . . . . 0.0 108.904 164.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -91.56 59.43 3.79 Favored 'General case' 0 C--O 1.2 -1.502 0 O-C-N 119.267 -2.146 . . . . 0.0 107.32 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.82 3.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 117.814 -3.054 . . . . 0.0 110.512 124.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 58.8 m -62.57 -39.43 93.67 Favored 'General case' 0 C--O 1.205 -1.24 0 C-N-CA 124.922 1.289 . . . . 0.0 110.577 177.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.7 m -58.67 -45.43 89.41 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-O 117.071 -1.442 . . . . 0.0 108.741 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.19 -46.86 69.52 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 126.584 1.954 . . . . 0.0 115.92 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -126.1 -8.83 6.52 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 118.633 0.652 . . . . 0.0 112.427 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 23.7 tptm -7.16 115.62 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.096 0 O-C-N 118.911 -2.368 . . . . 0.0 116.347 -147.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -131.1 7.3 4.64 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 127.233 2.213 . . . . 0.0 114.36 131.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -109.93 104.88 13.86 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.465 0.65 . . . . 0.0 109.736 -145.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 47' ' ' MET . 96.4 mt -110.5 142.01 42.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.743 0.817 . . . . 0.0 112.75 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 64.1 t80 -113.11 104.49 12.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 128.743 2.817 . . . . 0.0 106.032 -171.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 88.6 tt0 -118.03 138.51 52.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -175.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.957 ' CD1' HD12 ' A' ' 82' ' ' ILE . 97.4 mt -122.96 128.12 49.8 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.678 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 94.5 m-70 -108.09 122.0 45.99 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 120.15 1.341 . . . . 0.0 110.665 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.589 HD13 ' HE2' ' A' ' 32' ' ' LYS . 19.9 tt 27.04 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -157.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.957 HD12 ' CD1' ' A' ' 79' ' ' LEU . 19.3 tt . . . . . 0 C--O 1.176 -2.798 1 N-CA-C 121.894 4.035 . . . . 0.0 121.894 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.1 mttt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -130.16 167.8 17.81 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 118.692 -1.203 . . . . 0.0 109.616 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.938 HG21 ' OE1' ' A' ' 20' ' ' GLU . 73.1 t -126.59 112.21 28.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 127.874 3.234 . . . . 0.0 113.989 170.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 38' ' ' PHE . 57.3 mt -79.92 140.7 36.59 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.319 -0.863 . . . . 0.0 111.22 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -62.64 136.88 58.1 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 128.711 2.804 . . . . 0.0 111.415 167.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.52 -43.82 93.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.153 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -60.52 -43.09 97.5 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 131.268 3.827 . . . . 0.0 111.846 -155.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.294 -1.808 0 O-C-N 117.711 -3.118 . . . . 0.0 112.773 -171.406 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 6' ' ' VAL . 13.9 p -62.92 -36.9 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 C-N-CA 127.799 2.44 . . . . 0.0 112.31 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.938 ' OE1' HG21 ' A' ' 6' ' ' VAL . 52.5 tp10 -63.06 -44.38 95.99 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 116.958 -1.897 . . . . 0.0 110.12 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 57' ' ' LYS . 91.9 mt -62.83 -45.43 92.64 Favored 'General case' 0 N--CA 1.426 -1.625 0 C-N-CA 117.224 -1.79 . . . . 0.0 112.414 -171.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.49 -37.35 86.54 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.805 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.2 -36.36 83.94 Favored 'General case' 0 CA--C 1.479 -1.775 0 O-C-N 125.914 2.009 . . . . 0.0 110.03 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 50.7 mt -57.37 -56.5 21.08 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.52 0.6 . . . . 0.0 110.516 -176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HD2' ' NE2' ' A' ' 59' ' ' HIS . 60.4 t80 -63.93 -45.73 87.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.82 -41.34 44.7 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 117.433 -1.707 . . . . 0.0 111.342 -166.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.267 93.9 mt-10 -56.97 -46.83 81.91 Favored 'General case' 0 CA--C 1.45 -2.882 0 C-N-CA 124.042 0.937 . . . . 0.0 111.248 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 81' ' ' ILE . 3.1 t80 -56.43 -52.76 63.47 Favored 'General case' 0 N--CA 1.415 -2.208 0 O-C-N 126.684 2.49 . . . . 0.0 110.802 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.0 p -64.81 -47.89 76.38 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 114.674 -1.148 . . . . 0.0 113.175 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -75.51 -47.54 26.53 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -133.61 154.87 50.55 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -158.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -103.2 124.18 48.13 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.24 -2.314 . . . . 0.0 112.973 163.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HG2' ' H ' ' A' ' 34' ' ' SER . 67.7 ttt180 -167.2 176.21 6.92 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 123.056 2.662 . . . . 0.0 116.953 -141.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' HD23 ' A' ' 79' ' ' LEU . 95.0 p -158.86 146.66 17.86 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 117.182 -3.449 . . . . 0.0 110.643 -168.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.588 HG13 ' HB3' ' A' ' 78' ' ' GLU . 48.0 pt -135.54 165.12 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 124.091 1.9 . . . . 0.0 115.871 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 75.0 m-85 -106.35 138.87 41.75 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.212 1.805 . . . . 0.0 110.588 161.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 1.4 t80 -117.34 118.43 32.21 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.16 -1.588 . . . . 0.0 109.353 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.3 t80 -113.75 86.14 2.34 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 -145.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -148.31 128.6 6.74 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 113.822 -1.536 . . . . 0.0 113.274 -146.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 98.3 Cg_endo -63.59 142.53 84.42 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 O-C-N 122.916 0.956 . . . . 0.0 111.749 -118.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 80.1 m -67.94 -40.74 83.22 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 122.216 1.008 . . . . 0.0 110.613 168.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.01 -39.76 72.19 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.931 3.692 . . . . 0.0 117.027 -170.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.97 -23.58 10.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 165.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 39.8 m80 66.72 13.56 9.41 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 119.982 1.264 . . . . 0.0 110.759 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.1 tttt -85.72 -50.68 6.99 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 127.328 2.251 . . . . 0.0 111.769 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 70.6 m-20 -65.03 -35.7 82.02 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 125.948 2.03 . . . . 0.0 108.465 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 ttm -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 118.912 -2.367 . . . . 0.0 115.779 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 44' ' ' HIS . 82.0 mt -60.43 -39.45 87.5 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 123.02 1.391 . . . . 0.0 107.92 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 99.3 mttt -62.39 -40.47 96.57 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.321 -0.862 . . . . 0.0 111.237 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.37 85.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.529 1.131 . . . . 0.0 114.022 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.69 -43.03 82.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -43.16 92.19 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.86 -39.03 83.82 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.049 ' HD2' HD22 ' A' ' 63' ' ' LEU . 7.6 m-85 -69.8 -32.74 71.37 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.953 2.033 . . . . 0.0 107.158 -160.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.99 -36.07 62.01 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 112.416 -3.659 . . . . 0.0 116.537 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.21 -35.01 74.46 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 122.754 2.525 . . . . 0.0 109.826 172.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.2 mmtt -98.39 148.17 23.96 Favored 'General case' 0 C--O 1.184 -2.387 0 CA-C-O 112.795 -3.479 . . . . 0.0 112.761 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.11 4.69 74.79 Favored Glycine 0 C--O 1.206 -1.644 0 C-N-CA 128.699 3.047 . . . . 0.0 118.099 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 54.5 m80 -97.96 15.04 25.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 121.519 2.659 . . . . 0.0 116.544 -154.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -99.1 -140.79 0.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.058 1.743 . . . . 0.0 107.358 -156.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' LEU . . . -139.19 -62.94 0.53 Allowed 'General case' 0 C--N 1.295 -1.798 1 N-CA-C 99.792 -4.151 . . . . 0.0 99.792 132.121 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -129.8 152.75 48.96 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -164.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.049 HD22 ' HD2' ' A' ' 54' ' ' PHE . 53.6 tp -122.9 137.25 55.0 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.744 1.618 . . . . 0.0 114.071 161.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -143.01 173.14 11.81 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 119.711 -1.868 . . . . 0.0 111.08 169.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -77.54 160.08 28.86 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 117.596 -3.19 . . . . 0.0 115.614 164.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 68' ' ' VAL . 18.4 m -77.1 164.33 3.54 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 150.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.535 ' NH2' ' OG ' ' A' ' 69' ' ' SER . 11.9 mmp_? -97.92 8.45 44.72 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 164.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 66' ' ' VAL . 20.0 m -76.64 1.11 2.11 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.733 0 CA-C-N 124.171 3.169 . . . . 0.0 107.784 151.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.535 ' OG ' ' NH2' ' A' ' 67' ' ' ARG . 88.3 p -64.18 -38.6 91.64 Favored 'General case' 0 C--O 1.207 -1.148 0 O-C-N 120.684 -1.26 . . . . 0.0 111.968 177.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -62.67 -37.87 88.1 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 117.868 -1.533 . . . . 0.0 107.532 -173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -81.23 -54.4 5.53 Favored 'General case' 0 C--O 1.173 -2.937 0 O-C-N 126.065 2.103 . . . . 0.0 111.747 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 99.8 mt-10 -123.62 -20.06 5.63 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 117.559 -3.213 . . . . 0.0 111.22 -164.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.52 ' H ' ' HA ' ' A' ' 69' ' ' SER . 98.6 mttt 73.09 17.28 4.13 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 161.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 -33.25 11.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.637 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 96.9 m-85 -111.01 123.46 50.23 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 119.559 1.072 . . . . 0.0 113.165 -171.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.7 mt -82.46 136.92 34.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.125 2.17 . . . . 0.0 109.556 152.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 79' ' ' LEU . 50.0 t80 -100.93 104.36 15.55 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.588 ' HB3' HG13 ' A' ' 35' ' ' ILE . 89.1 tt0 -111.97 128.73 56.25 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.717 -173.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.09 HD13 ' CD1' ' A' ' 82' ' ' ILE . 91.4 mt -117.43 129.96 56.17 Favored 'General case' 0 CA--C 1.474 -1.947 0 O-C-N 119.879 -1.763 . . . . 0.0 113.161 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -109.94 125.51 52.92 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 81' ' ' ILE . 94.3 mt 53.7 44.28 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.692 0.62 . . . . 0.0 112.072 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.09 ' CD1' HD13 ' A' ' 79' ' ' LEU . 20.6 tt . . . . . 0 CA--C 1.572 1.821 1 CA-C-O 110.462 -4.59 . . . . 0.0 115.076 -169.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HB3' HG22 ' A' ' 35' ' ' ILE . 74.7 mmtt . . . . . 0 N--CA 1.443 -0.818 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -127.68 166.45 18.09 Favored 'General case' 0 CA--C 1.474 -1.979 0 CA-C-O 114.375 -2.726 . . . . 0.0 109.098 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.0 t -122.53 124.03 69.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 128.339 3.524 . . . . 0.0 111.257 169.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.8 mt -96.92 143.2 28.02 Favored 'General case' 0 C--O 1.191 -1.991 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 -174.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.92 139.24 58.06 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.253 3.021 . . . . 0.0 116.446 161.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.41 -44.27 95.13 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 170.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -64.41 -44.25 91.83 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.186 -164.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m . . . . . 0 C--N 1.345 0.407 0 C-N-CA 116.268 -2.173 . . . . 0.0 112.685 179.134 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.05 -37.08 78.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 127.142 2.177 . . . . 0.0 114.927 -148.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 14.8 pt-20 -57.07 -45.12 83.53 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.267 -0.878 . . . . 0.0 112.032 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.8 mt -66.11 -47.13 75.17 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG2' ' CD2' ' A' ' 26' ' ' HIS . 87.1 tt0 -65.33 -38.73 91.03 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 126.185 1.794 . . . . 0.0 114.799 174.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -67.58 -36.7 81.4 Favored 'General case' 0 CA--C 1.491 -1.327 0 O-C-N 124.43 1.081 . . . . 0.0 109.802 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 80' ' ' HIS . 77.0 mt -55.83 -57.01 13.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.999 0.818 . . . . 0.0 110.194 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.7 -46.93 88.48 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CD2' ' HG2' ' A' ' 22' ' ' GLU . 4.9 m-70 -69.78 -46.76 65.04 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -172.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -60.8 -45.69 93.41 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 113.451 -1.704 . . . . 0.0 107.733 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.16 -40.08 86.6 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 116.79 -1.964 . . . . 0.0 111.37 -174.494 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.3 p -64.14 -42.56 96.75 Favored 'General case' 0 N--CA 1.434 -1.246 0 O-C-N 120.41 -1.431 . . . . 0.0 113.853 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.0 -39.98 19.0 Favored 'General case' 0 N--CA 1.418 -2.038 0 O-C-N 126.713 2.508 . . . . 0.0 113.576 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -141.64 160.82 39.37 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.817 1.247 . . . . 0.0 113.813 -167.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -115.59 113.57 23.76 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 118.26 -2.775 . . . . 0.0 118.464 163.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 3.5 mmp_? -160.45 177.55 10.45 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 119.702 -1.873 . . . . 0.0 107.495 -135.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.859 ' HB2' HD23 ' A' ' 79' ' ' LEU . 88.5 p -158.43 158.94 35.13 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 119.482 -2.012 . . . . 0.0 108.848 -174.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.814 ' CD1' ' HE1' ' A' ' 37' ' ' TYR . 38.6 pt -140.69 169.9 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-O 123.515 1.626 . . . . 0.0 110.297 -165.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HB3' ' HD1' ' A' ' 75' ' ' PHE . 31.2 m-85 -117.34 133.53 55.87 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 127.208 2.203 . . . . 0.0 105.813 173.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.814 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 4.9 m-85 -102.4 131.23 49.19 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 118.259 -1.376 . . . . 0.0 108.133 166.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 7' ' ' LEU . 56.3 t80 -109.08 101.87 10.9 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.21 152.29 64.07 Favored Pre-proline 0 CA--C 1.484 -1.593 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.1 Cg_endo -63.54 145.6 92.03 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 O-C-N 124.536 1.808 . . . . 0.0 113.344 -128.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 m -68.03 -44.1 77.25 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 116.589 -2.044 . . . . 0.0 111.39 157.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.85 -43.75 71.27 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -164.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.53 -36.71 10.68 Favored 'General case' 0 C--O 1.2 -1.507 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.717 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.6 m80 57.73 39.57 27.11 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 127.301 2.24 . . . . 0.0 109.524 -168.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.309 85.2 tttt -94.52 -55.33 3.19 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 118.702 2.853 . . . . 0.0 118.702 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 94.3 m-20 -61.83 -35.33 77.93 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.322 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 76' ' ' LEU . 57.2 ttm -65.12 -41.46 94.85 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.68 -42.61 83.98 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.397 1.57 . . . . 0.0 109.646 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.7 mttt -63.55 -38.41 91.01 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.722 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -57.04 -43.0 81.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 126.069 2.106 . . . . 0.0 113.676 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.91 -45.44 87.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 125.918 1.687 . . . . 0.0 109.3 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.92 -43.75 91.78 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 125.344 1.458 . . . . 0.0 113.606 173.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 20.9 m-30 -62.84 -37.37 86.55 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 118.377 -0.82 . . . . 0.0 111.214 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.04 ' CD2' HD22 ' A' ' 63' ' ' LEU . 16.8 m-85 -69.0 -40.07 78.96 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -165.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.62 -38.17 77.11 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.871 1.668 . . . . 0.0 114.603 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.53 -38.83 78.59 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.005 0.815 . . . . 0.0 109.628 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.705 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -116.28 142.17 47.19 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 5.1 77.85 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 125.696 1.617 . . . . 0.0 116.217 -157.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 69.4 m80 -104.28 22.48 14.74 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 114.799 -2.524 . . . . 0.0 112.829 -136.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -119.91 -136.49 0.33 Allowed 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 127.567 2.347 . . . . 0.0 108.131 -150.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 62' ' ' TYR . . . -145.57 -59.36 0.33 Allowed 'General case' 0 C--N 1.292 -1.926 0 O-C-N 116.454 -3.903 . . . . 0.0 100.918 141.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 87.2 m-85 -146.0 151.82 38.38 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 127.827 3.204 . . . . 0.0 116.237 -169.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 54' ' ' PHE . 53.7 tp -126.18 130.17 50.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.848 -1.782 . . . . 0.0 111.369 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -136.76 167.67 21.0 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 122.471 1.129 . . . . 0.0 113.748 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.69 166.54 17.13 Favored 'General case' 0 N--CA 1.438 -1.028 0 O-C-N 118.529 -2.607 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.713 ' O ' ' HB2' ' A' ' 69' ' ' SER . 88.2 t -87.01 145.55 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.959 0 C-N-CA 116.017 -2.273 . . . . 0.0 112.53 143.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -85.33 63.81 8.3 Favored 'General case' 0 C--O 1.198 -1.638 2 O-C-N 113.918 -5.489 . . . . 0.0 115.322 154.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.543 ' H ' HG12 ' A' ' 66' ' ' VAL . 26.8 m -109.64 11.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 117.529 -3.232 . . . . 0.0 108.5 138.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.713 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 70.1 m -121.4 13.57 11.05 Favored 'General case' 0 C--O 1.2 -1.509 0 C-N-CA 128.412 2.685 . . . . 0.0 109.996 -152.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -67.36 -60.01 2.94 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 123.09 1.424 . . . . 0.0 109.813 127.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.56 -42.24 87.41 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 127.23 2.212 . . . . 0.0 115.459 -157.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -130.57 -19.73 3.0 Favored 'General case' 0 C--O 1.211 -0.957 0 O-C-N 125.001 1.438 . . . . 0.0 112.518 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' H ' ' HA ' ' A' ' 69' ' ' SER . 98.5 mttt 56.51 41.06 29.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 170.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.45 -34.51 7.79 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 58.9 m-85 -114.13 133.22 55.71 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 118.617 -1.233 . . . . 0.0 111.009 -161.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 47' ' ' MET . 91.5 mt -106.84 134.28 50.23 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 127.058 2.143 . . . . 0.0 109.897 168.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.697 ' CE2' HD21 ' A' ' 79' ' ' LEU . 67.4 t80 -107.14 109.99 21.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 127.114 2.166 . . . . 0.0 109.339 -167.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 57.8 tt0 -133.76 118.9 18.6 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 109.965 -154.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 34' ' ' SER . 64.3 mt -119.17 131.53 55.87 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -162.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.684 ' CE1' HD23 ' A' ' 24' ' ' LEU . 12.6 m170 -110.97 122.16 47.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.5 mt 61.62 -41.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 125.037 1.335 . . . . 0.0 107.772 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.8 mt . . . . . 0 CA--C 1.578 2.044 1 O-C-N 112.102 -6.623 . . . . 0.0 110.372 -158.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.163 -3.475 1 CA-C-O 129.103 4.287 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -65.88 -43.24 88.91 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 116.605 -3.809 . . . . 0.0 119.331 -168.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.563 ' SD ' ' O ' ' A' ' 3' ' ' MET . 8.6 tmm? -158.61 59.34 0.44 Allowed 'General case' 0 C--O 1.156 -3.827 0 N-CA-C 102.157 -3.275 . . . . 0.0 102.157 147.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HE3' ' HD2' ' A' ' 33' ' ' ARG . 74.1 mmtt 53.87 42.81 31.61 Favored 'General case' 0 N--CA 1.444 -0.759 1 O-C-N 114.059 -5.4 . . . . 0.0 119.037 170.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 pp -137.01 155.24 49.95 Favored 'General case' 0 CA--C 1.468 -2.199 0 C-N-CA 115.427 -2.509 . . . . 0.0 113.357 -170.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.715 HG13 ' CG1' ' A' ' 19' ' ' VAL . 57.7 t -112.31 133.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 127.292 2.87 . . . . 0.0 103.588 -173.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.9 mt -115.39 138.92 50.48 Favored 'General case' 0 C--O 1.16 -3.641 0 CA-C-N 122.105 2.229 . . . . 0.0 107.461 173.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -64.47 143.41 57.93 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 127.5 2.32 . . . . 0.0 112.868 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.935 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -81.03 -20.22 42.19 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 177.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -62.02 -40.26 95.08 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 121.139 1.791 . . . . 0.0 110.414 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -97.68 -43.43 7.19 Favored 'General case' 0 CA--C 1.49 -1.351 0 O-C-N 118.384 -2.698 . . . . 0.0 105.884 -167.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -91.16 -49.02 6.62 Favored 'General case' 0 C--N 1.381 1.962 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 88.5 tttt 48.82 57.07 6.77 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 125.623 1.569 . . . . 0.0 110.383 177.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.2 p -95.11 -47.21 6.47 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 115.157 -2.617 . . . . 0.0 117.893 166.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 39.9 p-10 -146.34 1.6 0.84 Allowed 'General case' 0 C--N 1.283 -2.313 0 C-N-CA 129.009 2.923 . . . . 0.0 113.953 162.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -62.87 -36.63 83.91 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 118.362 -2.711 . . . . 0.0 108.491 -139.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 88.2 tttt -55.57 143.96 28.05 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 129.816 3.246 . . . . 0.0 113.466 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m 65.9 7.75 4.86 Favored 'General case' 0 N--CA 1.487 1.382 1 O-C-N 129.487 4.242 . . . . 0.0 114.278 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.715 ' CG1' HG13 ' A' ' 6' ' ' VAL . 7.1 p -62.79 -34.4 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 O-C-N 126.562 2.414 . . . . 0.0 114.558 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.893 ' O ' HD13 ' A' ' 24' ' ' LEU . 15.1 pm0 -62.52 -38.53 90.31 Favored 'General case' 0 C--O 1.199 -1.559 0 O-C-N 119.239 -2.163 . . . . 0.0 106.218 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 89.6 mt -66.61 -44.27 82.56 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 118.36 -2.713 . . . . 0.0 107.291 -164.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.59 -42.19 98.3 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.91 -36.94 82.81 Favored 'General case' 0 CA--C 1.467 -2.24 0 C-N-CA 115.889 -2.324 . . . . 0.0 107.842 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 20' ' ' GLU . 10.9 mp -55.58 -63.66 1.1 Allowed 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 123.559 0.744 . . . . 0.0 112.049 -175.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -59.6 -46.34 89.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -78.48 -39.82 37.21 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 125.619 1.824 . . . . 0.0 114.218 -165.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.53 -42.93 97.5 Favored 'General case' 0 CA--C 1.467 -2.224 0 C-N-CA 126.888 2.075 . . . . 0.0 108.709 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.93 -57.07 13.15 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 127.197 2.199 . . . . 0.0 112.287 178.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -61.4 -46.44 90.14 Favored 'General case' 0 CA--C 1.469 -2.144 0 O-C-N 125.542 1.776 . . . . 0.0 108.883 -172.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -71.57 -45.76 61.34 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 127.286 2.866 . . . . 0.0 115.422 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -151.86 152.59 32.8 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 119.691 -1.88 . . . . 0.0 114.811 -166.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HG2' HG21 ' A' ' 81' ' ' ILE . 98.3 mttt -93.73 107.52 19.39 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 117.188 -3.445 . . . . 0.0 113.591 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.8 ' HG3' ' H ' ' A' ' 34' ' ' SER . 24.7 tpp180 -170.07 -178.66 2.92 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 117.591 -3.193 . . . . 0.0 105.974 -135.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.8 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t -166.63 160.99 15.55 Favored 'General case' 0 C--N 1.266 -3.046 1 O-C-N 115.712 -4.367 . . . . 0.0 100.959 -155.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.461 HG13 ' HB3' ' A' ' 78' ' ' GLU . 47.4 pt -146.68 171.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 39.3 m-85 -124.1 118.7 27.5 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 1.1 t80 -88.55 114.88 25.62 Favored 'General case' 0 CA--C 1.611 3.322 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 165.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.861 ' HB2' HD23 ' A' ' 7' ' ' LEU . 90.7 m-85 -91.99 97.86 11.21 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 129.181 2.993 . . . . 0.0 111.044 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -139.82 146.12 45.78 Favored Pre-proline 0 C--N 1.296 -1.724 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.243 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -69.7 151.31 69.39 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 115.174 -2.75 . . . . 0.0 111.724 -121.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 72' ' ' GLU . 99.7 m -64.08 -44.87 91.07 Favored 'General case' 0 CA--C 1.466 -2.271 0 O-C-N 126.037 2.085 . . . . 0.0 114.258 163.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -67.65 -45.31 75.67 Favored 'General case' 0 C--O 1.157 -3.8 1 C-N-CA 132.814 4.446 . . . . 0.0 116.183 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -99.41 -35.59 9.86 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 116.742 -3.724 . . . . 0.0 115.418 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.3 m80 65.63 24.7 11.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.151 2.98 . . . . 0.0 110.48 -167.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 97.3 mttt -94.19 -51.35 4.86 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -171.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.642 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 88.2 m-20 -61.04 -37.93 84.36 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 125.213 1.571 . . . . 0.0 106.799 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.735 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.5 ttp -64.46 -44.96 89.41 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.57 -36.57 84.22 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.64 -34.21 77.32 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.67 -44.17 90.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.19 -44.81 96.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.8 -41.93 99.49 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.202 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.81 -43.28 96.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 117.888 0.313 . . . . 0.0 111.343 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.8 ' CD2' HD12 ' A' ' 63' ' ' LEU . 14.2 m-85 -65.62 -37.24 86.01 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 125.474 1.733 . . . . 0.0 110.752 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.55 -45.37 94.14 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.711 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.06 -38.15 85.17 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 116.299 -1.81 . . . . 0.0 113.088 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 59' ' ' HIS . 99.4 mttt -112.93 140.6 47.6 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 125.247 1.592 . . . . 0.0 114.647 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.36 13.94 65.11 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 127.414 2.435 . . . . 0.0 116.111 -162.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 91.7 m-70 -61.37 -25.09 66.94 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 129.18 2.992 . . . . 0.0 106.446 -169.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.7 p -77.87 -149.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 104.247 -2.501 . . . . 0.0 104.247 -135.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.587 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -125.96 -44.61 1.77 Allowed 'General case' 0 C--N 1.285 -2.203 1 O-C-N 113.929 -5.482 . . . . 0.0 110.239 119.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -145.75 156.19 43.45 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.883 1.365 . . . . 0.0 113.033 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.6 tt -133.18 137.94 46.38 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 156.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.612 ' N ' HD23 ' A' ' 63' ' ' LEU . 49.5 t0 -150.58 162.14 41.22 Favored 'General case' 0 C--N 1.372 1.567 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.0 166.12 4.92 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 117.69 -3.131 . . . . 0.0 112.353 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 68' ' ' VAL . 99.4 t -97.46 131.36 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 117.964 -1.494 . . . . 0.0 110.874 145.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 69' ' ' SER . 39.6 mmt180 -87.45 57.07 4.22 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.512 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.1 m -97.36 13.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 C-N-CA 127.931 2.493 . . . . 0.0 107.552 131.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 95.0 p -62.34 -46.19 89.81 Favored 'General case' 0 CA--C 1.479 -1.755 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -58.83 -41.64 87.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.625 1.17 . . . . 0.0 108.435 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.26 -42.03 62.98 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 127.073 2.149 . . . . 0.0 116.772 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' THR . 98.3 mt-10 -119.13 -41.82 2.72 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.8 mttt 50.64 31.09 5.4 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 127.984 2.514 . . . . 0.0 114.972 -166.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 75' ' ' PHE . 32.5 p-10 -91.52 -2.42 57.19 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 171.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 1.2 t80 -134.61 108.39 8.03 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 122.522 2.419 . . . . 0.0 108.246 -134.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.735 HD11 ' HG3' ' A' ' 47' ' ' MET . 96.4 mt -109.88 127.65 54.85 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.082 -1.636 . . . . 0.0 111.676 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HB2' HG23 ' A' ' 66' ' ' VAL . 7.9 t80 -101.5 119.71 39.19 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 119.943 -1.723 . . . . 0.0 106.384 -171.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.693 ' C ' HD12 ' A' ' 79' ' ' LEU . 6.5 tm-20 -133.41 123.4 25.25 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.095 -1.628 . . . . 0.0 107.646 -159.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 82' ' ' ILE . 3.6 mp -117.09 133.1 56.42 Favored 'General case' 0 CA--C 1.483 -1.604 0 CA-C-O 116.822 -1.561 . . . . 0.0 110.461 -168.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.471 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 98.5 m-70 -113.37 130.25 56.33 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -169.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.903 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 71.1 mt 41.64 48.5 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.165 0 C-N-CA 115.347 -2.541 . . . . 0.0 116.753 -170.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.858 HD13 HD23 ' A' ' 79' ' ' LEU . 11.2 tp . . . . . 0 C--O 1.167 -3.274 0 O-C-N 118.035 -2.916 . . . . 0.0 113.302 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.537 ' HB2' ' ND1' ' A' ' 2' ' ' HIS . 80.4 p . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.537 ' ND1' ' HB2' ' A' ' 1' ' ' SER . 46.1 m80 64.65 36.82 8.09 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 163.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.0 mtp -62.43 -42.71 99.65 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 130.005 3.322 . . . . 0.0 116.066 154.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.589 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 94.8 mttt 58.6 25.94 13.83 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 117.868 -1.533 . . . . 0.0 113.52 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.7 pp -145.94 154.43 41.91 Favored 'General case' 0 N--CA 1.405 -2.692 0 C-N-CA 117.007 -1.877 . . . . 0.0 112.554 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.955 ' CG2' HD11 ' A' ' 35' ' ' ILE . 53.3 t -125.23 104.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.617 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.536 HD22 ' HD2' ' A' ' 12' ' ' ARG . 88.8 mt -71.59 142.39 50.0 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 124.212 1.958 . . . . 0.0 112.622 164.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.82 140.81 57.52 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.49 153.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . 87.4 tttt -56.8 -48.67 77.43 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 159.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.658 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 98.4 m-20 -63.75 -42.54 97.84 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.23 -0.89 . . . . 0.0 112.896 -152.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 40' ' ' PRO . 34.8 p -83.13 -35.59 25.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 120.32 1.418 . . . . 0.0 113.806 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HD2' HD22 ' A' ' 7' ' ' LEU . 74.3 mtt85 -107.53 -20.74 13.15 Favored 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -166.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.539 ' HE3' ' O ' ' A' ' 10' ' ' ASN . 98.6 mttt 54.47 40.39 31.77 Favored 'General case' 0 C--O 1.216 -0.679 1 O-C-N 116.041 -4.162 . . . . 0.0 117.601 156.156 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.0 p -103.22 -67.41 0.88 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 117.16 -1.816 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -142.95 2.31 1.33 Allowed 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 129.038 2.935 . . . . 0.0 113.06 163.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -13.8 62.36 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 118.999 -2.313 . . . . 0.0 114.675 -142.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 88.2 tttt -58.04 146.14 33.89 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.358 3.463 . . . . 0.0 115.905 -170.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 m 65.75 3.16 2.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 127.322 2.249 . . . . 0.0 112.648 171.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.883 ' CG1' HG13 ' A' ' 6' ' ' VAL . 9.5 p -64.55 -35.79 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 C-N-CA 129.007 2.923 . . . . 0.0 109.16 -172.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -46.41 85.01 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.682 HD21 ' HB3' ' A' ' 53' ' ' PHE . 93.0 mt -62.25 -46.97 86.46 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.22 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.89 -40.46 97.61 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' HG22 ' A' ' 19' ' ' VAL . 99.2 m-20 -68.11 -33.02 73.74 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.605 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 83.3 mt -58.03 -51.9 67.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 119.927 1.24 . . . . 0.0 109.029 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -60.64 -44.77 95.99 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.934 0.873 . . . . 0.0 110.104 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -85.48 -36.41 20.58 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 120.003 -1.686 . . . . 0.0 112.928 -169.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.561 ' OE2' ' HD2' ' A' ' 33' ' ' ARG . 48.3 mt-10 -60.29 -42.99 96.63 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.2 t80 -61.17 -48.81 79.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 117.797 0.271 . . . . 0.0 110.728 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -66.07 -41.34 90.9 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.62 -57.38 3.48 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.76 1.266 . . . . 0.0 108.329 -167.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -136.09 156.69 48.34 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 127.008 2.123 . . . . 0.0 114.742 -161.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HE2' HD13 ' A' ' 81' ' ' ILE . 98.4 mttt -108.99 123.74 49.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 116.71 -3.744 . . . . 0.0 113.593 169.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 32.0 ttm180 -166.18 172.57 11.09 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 119.884 -1.76 . . . . 0.0 110.263 -140.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.841 ' HB2' HD23 ' A' ' 79' ' ' LEU . 86.6 p -133.22 159.01 41.43 Favored 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 118.574 -2.579 . . . . 0.0 108.445 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.955 HD11 ' CG2' ' A' ' 6' ' ' VAL . 16.8 tt -123.83 147.68 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.968 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.62 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -101.2 124.01 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 129.0 2.92 . . . . 0.0 112.301 160.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.737 ' CD2' HD12 ' A' ' 76' ' ' LEU . 77.4 t80 -119.17 118.38 31.19 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.155 -1.591 . . . . 0.0 112.282 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 30.3 m-85 -112.48 85.0 2.07 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 127.693 2.397 . . . . 0.0 108.59 -161.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.68 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -132.88 140.39 37.5 Favored Pre-proline 0 CA--C 1.492 -1.262 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.06 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 10' ' ' ASN . 99.8 Cg_exo -60.38 143.96 99.5 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 N-CA-C 115.847 1.441 . . . . 0.0 115.847 -129.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.5 m -64.53 -38.68 91.86 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 123.132 1.444 . . . . 0.0 110.435 166.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -68.47 -40.19 81.11 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.201 1.4 . . . . 0.0 113.006 -167.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.53 -32.1 7.02 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.3 m80 63.09 24.89 14.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.497 2.719 . . . . 0.0 114.194 -170.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -92.0 -56.55 3.03 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 124.58 1.152 . . . . 0.0 113.84 -163.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.488 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 80.5 m-20 -62.2 -35.9 80.28 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.633 174.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.428 ' HA ' ' HE2' ' A' ' 37' ' ' TYR . 63.7 ttp -64.53 -42.93 95.43 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.54 -42.12 91.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.387 0.675 . . . . 0.0 110.549 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.95 -39.74 90.66 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -59.49 -39.91 85.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.826 1.25 . . . . 0.0 112.343 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.68 -44.25 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 121.356 -0.84 . . . . 0.0 111.398 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -63.59 -42.74 98.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.682 ' HB3' HD21 ' A' ' 21' ' ' LEU . 18.3 m-30 -57.53 -40.31 78.51 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 119.043 0.838 . . . . 0.0 112.466 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' HZ ' ' HA ' ' A' ' 62' ' ' TYR . 44.9 t80 -67.88 -42.76 80.74 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 -167.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.61 -44.26 97.32 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.206 -1.816 . . . . 0.0 111.154 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -57.61 -46.36 84.17 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 115.734 -2.079 . . . . 0.0 110.632 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HD2' HD22 ' A' ' 21' ' ' LEU . 98.8 mttt -117.86 142.34 47.42 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 127.939 2.496 . . . . 0.0 115.802 -166.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.51 31.89 7.05 Favored Glycine 0 C--O 1.204 -1.73 0 C-N-CA 129.133 3.254 . . . . 0.0 118.97 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.1 m-70 -96.99 -39.76 9.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.608 2.704 . . . . 0.0 117.014 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 78' ' ' GLU . 82.7 m -63.1 153.19 34.96 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 126.103 2.859 . . . . 0.0 112.667 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.72 -42.2 42.25 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 117.388 -3.32 . . . . 0.0 114.062 166.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' N ' HG22 ' A' ' 60' ' ' THR . 62.9 t80 -157.23 154.41 29.14 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -177.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 62.5 tp -123.09 125.31 44.95 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.573 -0.705 . . . . 0.0 109.579 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 52.4 t0 -142.03 155.94 45.42 Favored 'General case' 0 C--N 1.365 1.251 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 160.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.51 153.2 23.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HB3' ' A' ' 69' ' ' SER . 19.8 m -71.65 159.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 124.611 2.148 . . . . 0.0 107.913 158.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -101.51 8.49 41.95 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.885 2.474 . . . . 0.0 112.905 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' A' ' 66' ' ' VAL . 17.0 m -77.97 -0.47 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.205 147.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.545 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 56.8 p -62.41 -38.29 89.11 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 -171.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 m -62.08 -40.11 94.71 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.742 0.782 . . . . 0.0 111.548 -169.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.84 -56.05 18.27 Favored 'General case' 0 N--CA 1.414 -2.229 0 CA-C-N 112.559 -2.109 . . . . 0.0 115.987 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -125.75 -21.9 4.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 121.417 -0.802 . . . . 0.0 112.715 -153.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 55.02 43.16 30.24 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.2 -46.83 4.5 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.194 -1.402 . . . . 0.0 114.208 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.0 m-85 -109.42 128.6 55.27 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 122.317 1.056 . . . . 0.0 109.316 -152.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' CD2' ' A' ' 37' ' ' TYR . 92.2 mt -96.57 141.62 29.61 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 119.952 -1.718 . . . . 0.0 110.321 161.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CZ ' HD21 ' A' ' 79' ' ' LEU . 2.0 t80 -112.03 101.76 10.03 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.71 ' CG ' HG21 ' A' ' 60' ' ' THR . 86.9 tt0 -114.98 140.99 48.59 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' ' 34' ' ' SER . 96.4 mt -124.38 122.23 37.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 2.3 m-70 -109.47 124.76 51.59 Favored 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 119.319 -2.113 . . . . 0.0 110.123 -157.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.563 HD13 ' HE2' ' A' ' 32' ' ' LYS . 93.9 mt 45.65 -45.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.617 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.742 -155.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 34' ' ' SER . 41.4 pt . . . . . 0 C--O 1.209 -1.048 0 CA-C-N 125.102 3.592 . . . . 0.0 112.734 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -112.47 118.96 36.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.693 1.235 . . . . 0.0 112.041 171.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.2 mtp -122.0 33.49 5.46 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.67 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 95.5 mttt 57.84 22.08 8.21 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.88 HD23 ' HB2' ' A' ' 36' ' ' PHE . 46.9 mt -124.33 149.58 46.42 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.756 HG21 ' OE1' ' A' ' 20' ' ' GLU . 83.6 t -123.42 144.24 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 125.683 1.864 . . . . 0.0 107.394 162.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 38' ' ' PHE . 82.5 mt -108.98 148.41 30.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.974 1.369 . . . . 0.0 109.906 174.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -63.77 158.47 21.7 Favored 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 124.782 1.233 . . . . 0.0 111.732 166.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.857 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -86.17 -26.15 25.3 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 118.852 -2.405 . . . . 0.0 113.464 166.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 58.3 m-20 -64.81 -38.86 92.41 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 123.379 2.809 . . . . 0.0 111.893 -154.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -103.57 -29.51 11.08 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.392 -168.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -101.86 -41.87 6.35 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 120.275 1.398 . . . . 0.0 112.953 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 90.3 mttt 48.06 47.92 18.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.617 1.567 . . . . 0.0 112.645 178.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.2 p -82.44 -56.25 4.0 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 121.319 1.872 . . . . 0.0 113.443 173.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 -152.18 6.29 0.43 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.95 1.7 . . . . 0.0 113.273 155.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.26 67.05 9.47 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 124.69 2.185 . . . . 0.0 108.388 -160.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.625 ' HG3' ' HD2' ' A' ' 9' ' ' LYS . 87.3 tttt -128.24 137.6 52.08 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 125.824 1.65 . . . . 0.0 106.689 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 m 64.55 13.89 8.55 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.97 -40.85 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 125.936 1.694 . . . . 0.0 112.021 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.756 ' OE1' HG21 ' A' ' 6' ' ' VAL . 27.5 tp10 -61.3 -43.41 98.92 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' A' ' 24' ' ' LEU . 77.2 mt -56.76 -48.65 77.38 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.301 -1.499 . . . . 0.0 113.434 -172.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.72 -39.1 90.83 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -68.93 -31.84 71.02 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-N 120.553 1.524 . . . . 0.0 109.197 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 80' ' ' HIS . 43.3 mt -53.18 -57.29 10.97 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 119.041 0.837 . . . . 0.0 109.196 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.87 -50.13 70.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.718 1.247 . . . . 0.0 111.14 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -67.68 -46.76 71.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.512 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.34 -40.75 98.15 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -65.93 -44.13 86.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.963 1.305 . . . . 0.0 112.19 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -78.55 -46.35 19.68 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.166 0.587 . . . . 0.0 110.769 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.68 165.49 27.26 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.627 1.203 . . . . 0.0 112.929 -170.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -114.78 104.3 11.82 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.693 -1.255 . . . . 0.0 113.929 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 35.6 ttm180 -157.21 161.3 39.26 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.711 -0.618 . . . . 0.0 112.352 -142.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 55.3 p -126.17 153.04 45.18 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' LYS . 37.2 mm -114.94 145.71 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 128.892 2.877 . . . . 0.0 110.31 -171.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.88 ' HB2' HD23 ' A' ' 5' ' ' LEU . 62.0 m-85 -108.02 127.93 54.2 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.625 160.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.565 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 71.2 t80 -110.04 112.73 24.91 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -169.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.7 t80 -101.96 105.61 16.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 122.26 1.029 . . . . 0.0 108.758 -172.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -150.8 141.59 14.78 Favored Pre-proline 0 N--CA 1.443 -0.823 0 O-C-N 120.394 -1.441 . . . . 0.0 113.721 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 62.9 Cg_exo -62.47 143.53 93.35 Favored 'Trans proline' 0 N--CA 1.442 -1.545 0 C-N-CA 118.015 -0.857 . . . . 0.0 112.819 -118.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 72' ' ' GLU . 75.1 m -56.12 -41.77 75.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.546 2.117 . . . . 0.0 108.483 164.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.9 -41.08 75.19 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 112.273 -2.239 . . . . 0.0 111.852 -168.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -118.95 -26.42 6.01 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 119.032 -1.067 . . . . 0.0 112.21 -172.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 55.71 32.17 18.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.152 1.381 . . . . 0.0 111.157 -170.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -97.11 -54.11 3.28 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 120.885 -1.135 . . . . 0.0 113.853 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.6 m-20 -59.3 -34.9 72.87 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.705 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 66.3 ttp -71.11 -44.63 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.759 1.223 . . . . 0.0 113.761 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.99 -41.23 97.81 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.66 -35.42 77.92 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -60.19 -41.99 94.11 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -54.35 -42.13 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-O 122.345 1.069 . . . . 0.0 109.442 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.31 -44.12 76.14 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 114.254 -1.339 . . . . 0.0 114.057 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -53.86 -38.84 65.12 Favored 'General case' 0 N--CA 1.428 -1.532 0 O-C-N 124.351 1.032 . . . . 0.0 110.362 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.089 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.8 m-85 -77.18 -35.56 55.75 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-O 122.842 1.306 . . . . 0.0 108.685 -158.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.97 -37.93 82.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 CA-C-O 114.131 -2.842 . . . . 0.0 112.076 168.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.27 -27.1 66.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 122.051 2.205 . . . . 0.0 115.158 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -114.53 143.43 44.99 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.899 -1.126 . . . . 0.0 113.921 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.95 -31.2 80.14 Favored Glycine 0 CA--C 1.552 2.387 0 N-CA-C 119.118 2.407 . . . . 0.0 119.118 -171.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -64.99 -42.42 94.53 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 120.879 2.34 . . . . 0.0 116.953 -147.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.497 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 9.9 t -57.1 146.15 28.58 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.469 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.25 -59.05 2.4 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 169.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.9 ' HB2' HD21 ' A' ' 79' ' ' LEU . 97.4 m-85 -131.65 158.29 41.46 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.035 -172.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.089 HD22 ' HD2' ' A' ' 54' ' ' PHE . 48.6 tp -134.63 128.95 34.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 164.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -140.69 162.42 35.45 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.982 1.313 . . . . 0.0 113.177 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -93.57 144.33 25.48 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 118.335 -2.728 . . . . 0.0 109.63 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 68' ' ' VAL . 60.7 t -84.76 138.93 18.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 120.595 -1.316 . . . . 0.0 110.181 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 26.1 mmm180 -103.57 25.72 9.36 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 120.321 -1.487 . . . . 0.0 114.241 -174.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 66' ' ' VAL . 20.2 m -82.96 22.55 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.519 1.628 . . . . 0.0 109.855 139.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 19.7 p -62.16 -31.23 71.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.889 -1.757 . . . . 0.0 112.724 171.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -60.69 -41.05 94.36 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -77.17 -35.1 56.17 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 114.262 -2.78 . . . . 0.0 118.386 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' THR . 98.1 mt-10 -131.52 -42.37 1.05 Allowed 'General case' 0 N--CA 1.481 1.107 0 O-C-N 126.446 2.341 . . . . 0.0 113.806 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' H ' ' HA ' ' A' ' 69' ' ' SER . 84.0 tttt 49.92 38.18 15.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.189 1.795 . . . . 0.0 111.651 -172.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -123.83 5.04 8.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.682 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -108.64 124.09 49.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.858 1.208 . . . . 0.0 113.617 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 69.6 mt -88.33 147.26 24.85 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.618 152.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 56.0 t80 -105.45 110.57 22.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.482 1.913 . . . . 0.0 105.855 162.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 74.1 tt0 -114.82 148.32 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD21 ' HB2' ' A' ' 62' ' ' TYR . 1.2 pt? -134.88 136.53 42.46 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.384 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.916 ' NE2' HD23 ' A' ' 24' ' ' LEU . 75.4 m80 -108.16 122.87 47.8 Favored 'General case' 0 CA--C 1.495 -1.154 0 O-C-N 124.5 1.125 . . . . 0.0 109.201 -167.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' ILE . 20.1 tt 20.21 82.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 126.131 2.144 . . . . 0.0 115.088 -156.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 79' ' ' LEU . 20.1 tt . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 124.862 1.265 . . . . 0.0 114.228 165.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 CA--C 1.472 -2.05 0 CA-C-O 112.701 -3.524 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -125.06 134.68 52.43 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 126.549 2.406 . . . . 0.0 116.4 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -108.85 -45.88 3.73 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 -172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.804 ' HA ' HH22 ' A' ' 33' ' ' ARG . 99.4 mttt -125.73 16.37 8.09 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 157.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.846 HD23 ' HB2' ' A' ' 36' ' ' PHE . 77.5 mt -125.96 151.04 47.55 Favored 'General case' 0 CA--C 1.475 -1.933 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.005 HG21 ' OE1' ' A' ' 20' ' ' GLU . 59.8 t -124.57 142.53 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 O-C-N 125.694 1.871 . . . . 0.0 107.083 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.573 HD12 HH11 ' A' ' 12' ' ' ARG . 92.1 mt -108.3 143.0 37.75 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.94 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -57.02 155.21 8.5 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 125.147 1.379 . . . . 0.0 111.125 159.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HE2' ' OD1' ' A' ' 46' ' ' ASP . 65.2 pttt -64.96 -40.89 95.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 119.623 -1.923 . . . . 0.0 113.724 169.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.93 -37.34 81.98 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.488 1.915 . . . . 0.0 109.228 -162.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -93.2 -44.5 8.31 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -157.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.702 ' HG2' ' H ' ' A' ' 14' ' ' SER . 72.6 ttt180 -103.08 -51.73 3.19 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 128.487 2.715 . . . . 0.0 109.994 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -11.3 84.64 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.922 2.146 . . . . 0.0 116.404 -133.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.702 ' H ' ' HG2' ' A' ' 12' ' ' ARG . 99.6 p -65.63 -55.38 17.85 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.645 -1.909 . . . . 0.0 114.151 149.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -138.02 -4.5 1.73 Allowed 'General case' 0 C--N 1.267 -2.986 0 C-N-CA 128.573 2.749 . . . . 0.0 113.874 164.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.39 9.31 13.58 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -134.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' HB3' ' A' ' 9' ' ' LYS . 88.0 tttt -75.88 137.23 40.28 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 110.474 -3.057 . . . . 0.0 113.099 -169.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m 65.67 15.78 10.2 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.02 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -34.57 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 CA-C-O 116.07 -1.919 . . . . 0.0 114.325 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 1.005 ' OE1' HG21 ' A' ' 6' ' ' VAL . 38.5 tp10 -58.31 -45.36 88.16 Favored 'General case' 1 C--O 1.132 -5.117 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 53' ' ' PHE . 97.2 mt -60.79 -49.12 78.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.78 -37.56 87.16 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 117.779 -1.105 . . . . 0.0 111.109 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.48 -36.27 73.76 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 116.206 -1.854 . . . . 0.0 111.214 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 96.7 mt -49.49 -56.58 9.3 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.02 -52.5 59.2 Favored 'General case' 0 N--CA 1.437 -1.087 0 O-C-N 120.937 -1.102 . . . . 0.0 112.665 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.84 -36.53 56.76 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.329 -0.948 . . . . 0.0 113.221 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.757 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 83.8 mt-10 -64.41 -40.37 95.65 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.9 t80 -61.1 -51.21 70.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.409 1.099 . . . . 0.0 112.898 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.2 p -63.88 -42.53 97.47 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 121.156 -0.965 . . . . 0.0 108.765 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -74.16 -49.35 24.05 Favored 'General case' 0 C--O 1.273 2.292 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -172.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -154.75 160.35 41.26 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 122.001 0.905 . . . . 0.0 113.246 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' A' ' 81' ' ' ILE . 64.4 pttt -106.57 117.26 33.58 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.804 HH22 ' HA ' ' A' ' 4' ' ' LYS . 10.1 ptm180 -160.93 -175.13 4.75 Favored 'General case' 0 CA--C 1.477 -1.831 0 O-C-N 120.451 -1.405 . . . . 0.0 109.672 -144.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.466 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 86.2 p -149.77 164.39 35.42 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.752 HG22 ' NH2' ' A' ' 33' ' ' ARG . 1.4 pp -134.69 164.36 34.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.846 ' HB2' HD23 ' A' ' 5' ' ' LEU . 72.6 m-85 -114.83 124.48 51.85 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.757 -1.11 . . . . 0.0 113.87 157.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -102.1 115.27 30.19 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -172.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 3.6 t80 -93.06 103.28 15.59 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 124.394 1.078 . . . . 0.0 108.849 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -134.84 143.92 48.33 Favored Pre-proline 0 CA--C 1.465 -2.299 0 O-C-N 119.364 -2.085 . . . . 0.0 109.084 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -62.92 152.43 79.13 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 115.678 -2.414 . . . . 0.0 116.941 -129.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 m -68.69 -40.68 79.94 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 161.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.9 -43.72 78.62 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 115.506 -2.188 . . . . 0.0 115.41 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.52 -26.46 11.4 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 122.278 2.308 . . . . 0.0 116.013 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.87 20.73 12.39 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.578 2.351 . . . . 0.0 111.009 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -93.3 -53.17 4.2 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.695 -1.878 . . . . 0.0 112.583 -163.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.94 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 64.2 m-20 -64.2 -35.62 81.41 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 65.0 ttp -61.96 -46.91 87.2 Favored 'General case' 0 CA--C 1.56 1.352 0 O-C-N 124.449 1.093 . . . . 0.0 113.731 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.38 -37.36 86.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.238 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.29 -35.67 81.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.647 -1.221 . . . . 0.0 112.069 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -55.94 -40.17 72.77 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.65 -49.13 46.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 124.292 0.995 . . . . 0.0 111.583 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 98.1 m-20 -75.63 -40.05 56.83 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 116.767 -1.587 . . . . 0.0 109.36 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m-30 -63.78 -37.88 89.03 Favored 'General case' 0 CA--C 1.476 -1.89 0 C-N-CA 118.036 -1.466 . . . . 0.0 110.845 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.951 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.0 m-30 -61.7 -43.46 98.81 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 125.83 1.956 . . . . 0.0 109.991 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.81 -42.65 85.55 Favored 'General case' 0 CA--C 1.48 -1.749 0 C-N-CA 124.131 0.972 . . . . 0.0 112.573 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 95.3 mt-10 -59.71 -29.11 67.89 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-O 125.664 2.65 . . . . 0.0 111.523 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.99 146.1 29.51 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 117.038 -3.539 . . . . 0.0 112.877 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.5 -11.21 85.08 Favored Glycine 1 C--O 1.167 -4.076 0 N-CA-C 120.92 3.128 . . . . 0.0 120.92 -173.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -65.87 -44.22 86.02 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.0 t -67.3 148.46 51.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.12 -45.73 8.51 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 165.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.788 ' HD2' HD13 ' A' ' 79' ' ' LEU . 78.8 t80 -144.25 120.85 11.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -153.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' HD2' ' A' ' 54' ' ' PHE . 63.2 tp -119.19 136.43 54.2 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 172.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.39 171.76 17.54 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.64 162.83 28.98 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.337 -2.102 . . . . 0.0 110.264 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 69' ' ' SER . 18.7 m -80.39 163.87 3.28 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-O 124.045 1.879 . . . . 0.0 108.907 147.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -72.84 -31.32 64.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 129.205 3.002 . . . . 0.0 116.417 167.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 66' ' ' VAL . 30.0 m -62.85 -9.29 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.367 -1.458 . . . . 0.0 111.234 161.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 66.3 m -59.78 -43.08 94.57 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 116.553 -1.689 . . . . 0.0 111.468 171.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -62.15 -38.31 88.52 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 123.068 2.667 . . . . 0.0 109.271 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.53 -42.47 78.41 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -125.21 -26.15 3.7 Favored 'General case' 0 CA--C 1.431 -3.627 0 C-N-CA 117.799 -1.56 . . . . 0.0 112.23 -169.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 45.06 56.4 5.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 O-C-N 119.732 -1.855 . . . . 0.0 115.841 -158.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -92.51 -44.35 8.69 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 148.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' PHE . 28.6 m-85 -110.75 133.3 53.46 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 121.236 1.834 . . . . 0.0 112.814 -150.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.1 mt -100.46 138.57 37.35 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 120.546 -1.346 . . . . 0.0 112.2 160.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 6.4 t80 -93.74 106.26 18.24 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 176.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 79' ' ' LEU . 17.5 tt0 -125.75 127.34 46.02 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.687 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.788 HD13 ' HD2' ' A' ' 62' ' ' TYR . 5.3 mp -119.42 128.33 53.94 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 119.841 -1.787 . . . . 0.0 108.617 -162.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.484 ' O ' ' HB ' ' A' ' 81' ' ' ILE . 63.2 m170 -110.25 124.07 50.94 Favored 'General case' 0 CA--C 1.456 -2.648 0 CA-C-O 114.502 -2.666 . . . . 0.0 108.034 -162.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 80' ' ' HIS . 91.6 mt 59.95 -60.68 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.607 -2.14 . . . . 0.0 107.868 -160.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.5 pt . . . . . 1 C--O 1.337 5.673 1 CA-C-O 108.909 -5.329 . . . . 0.0 104.417 -162.749 . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 C--O 1.184 -2.35 0 CA-C-O 115.263 -2.303 . . . . 0.0 107.749 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -84.77 70.97 10.89 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 126.691 1.996 . . . . 0.0 110.47 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.589 ' SD ' HD23 ' A' ' 5' ' ' LEU . 27.6 ptm -120.91 33.41 5.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 111.117 -2.765 . . . . 0.0 114.993 155.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HG2' HH21 ' A' ' 33' ' ' ARG . 95.8 mttt 54.59 43.82 29.64 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 119.39 3.107 . . . . 0.0 119.39 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 pp -120.46 159.62 24.78 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 112.377 -3.678 . . . . 0.0 111.455 -172.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 20' ' ' GLU . 97.0 t -108.91 142.54 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 128.694 3.746 . . . . 0.0 110.334 159.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.742 HD22 ' CZ ' ' A' ' 12' ' ' ARG . 95.3 mt -112.83 139.07 48.77 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.563 -1.336 . . . . 0.0 113.478 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -66.84 145.38 55.55 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 121.424 -0.797 . . . . 0.0 112.701 167.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 17' ' ' LYS . 58.6 pttt -82.93 -30.63 28.24 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.03 175.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.91 -43.96 91.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.419 1.009 . . . . 0.0 110.255 -159.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.8 p -74.43 -40.31 62.04 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.742 ' CZ ' HD22 ' A' ' 7' ' ' LEU . 71.1 mtt85 -100.7 -43.94 5.98 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.042 0.837 . . . . 0.0 112.219 -167.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 4.75 107.56 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 128.929 2.891 . . . . 0.0 116.555 -143.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -90.87 -71.68 0.62 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 118.542 -0.742 . . . . 0.0 112.271 129.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -151.04 7.95 0.54 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.86 -28.23 68.17 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.357 -146.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HB3' ' HD3' ' A' ' 9' ' ' LYS 0.315 83.8 tttt -79.61 57.94 2.6 Favored 'General case' 0 C--O 1.194 -1.838 0 CA-C-O 116.722 -1.609 . . . . 0.0 113.933 -169.249 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.6 p -127.63 -5.64 5.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 138.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.54 -39.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 125.556 1.542 . . . . 0.0 113.74 -155.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 26.6 pt-20 -57.77 -41.5 82.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 119.283 0.947 . . . . 0.0 112.598 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.3 mt -61.79 -47.15 86.43 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 119.413 -2.055 . . . . 0.0 110.675 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.04 -43.47 98.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 116.555 -1.688 . . . . 0.0 112.648 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -66.87 -36.57 82.61 Favored 'General case' 0 CA--C 1.484 -1.579 0 O-C-N 124.577 1.173 . . . . 0.0 108.892 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.5 mp -64.28 -50.25 68.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 119.765 1.166 . . . . 0.0 107.976 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.04 -48.84 78.88 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.293 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -83.64 -37.78 22.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -168.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 94.7 mt-10 -61.61 -42.19 98.52 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 119.635 -1.916 . . . . 0.0 108.997 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 81' ' ' ILE . 1.3 t80 -59.42 -47.62 84.76 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.232 0.957 . . . . 0.0 111.742 177.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -71.13 -33.31 69.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.01 -46.95 14.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 119.126 0.875 . . . . 0.0 108.762 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -147.68 166.36 27.69 Favored 'General case' 0 CA--C 1.558 1.271 0 O-C-N 121.86 -0.525 . . . . 0.0 111.733 -154.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 81' ' ' ILE . 83.4 mttt -126.47 115.95 20.37 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 118.31 -2.744 . . . . 0.0 115.366 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 4' ' ' LYS . 17.1 ptm180 -168.71 172.84 7.64 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.315 -137.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -135.17 172.01 13.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 120.006 1.276 . . . . 0.0 108.342 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.722 HD11 ' OE1' ' A' ' 78' ' ' GLU . 44.5 pt -142.16 165.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-O 122.998 1.38 . . . . 0.0 109.194 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' HB2' ' HE1' ' A' ' 38' ' ' PHE . 50.9 m-85 -112.58 148.08 35.3 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.436 -1.256 . . . . 0.0 107.817 162.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.807 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -119.36 123.81 45.06 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 177.377 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.588 ' HB2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -106.02 89.75 3.16 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 127.4 2.28 . . . . 0.0 106.75 -177.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.807 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -134.4 144.9 53.04 Favored Pre-proline 0 C--O 1.204 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 112.589 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 59.8 Cg_exo -60.39 149.15 87.67 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 CA-C-O 115.889 -1.796 . . . . 0.0 115.495 -122.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -64.88 -47.12 78.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 116.828 -1.949 . . . . 0.0 111.507 155.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -70.07 -38.1 75.64 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 125.09 1.356 . . . . 0.0 111.559 -160.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.73 -38.76 10.2 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.1 m80 53.32 36.03 21.78 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 128.821 2.849 . . . . 0.0 112.562 -165.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -101.22 -57.3 2.12 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.313 -167.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.7 m-20 -67.18 -36.14 81.13 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.658 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.8 ttp -64.09 -41.68 97.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.618 0.644 . . . . 0.0 111.631 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -43.83 90.43 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.894 0.878 . . . . 0.0 110.428 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.17 -35.3 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -61.75 -38.84 89.45 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.339 1.025 . . . . 0.0 113.346 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.09 -46.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.999 0.904 . . . . 0.0 109.656 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.0 -43.0 89.02 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.76 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.31 -38.26 90.41 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD13 ' A' ' 63' ' ' LEU . 20.5 m-30 -64.83 -35.05 79.85 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 122.872 1.32 . . . . 0.0 111.559 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.42 -34.84 58.79 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 116.267 -1.825 . . . . 0.0 114.796 169.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.45 -32.01 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 121.253 1.842 . . . . 0.0 111.426 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.952 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.4 mttt -125.06 140.84 52.54 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.84 -16.3 70.61 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 118.481 2.153 . . . . 0.0 118.481 -155.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 96.3 m-70 -77.28 -29.13 53.66 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 117.167 -3.549 . . . . 0.0 117.147 -157.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -64.1 145.63 55.59 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 120.749 -1.219 . . . . 0.0 109.083 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 1.069 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -73.44 -38.14 65.61 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 121.273 -0.892 . . . . 0.0 110.014 167.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -163.14 164.68 25.19 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.855 1.347 . . . . 0.0 113.33 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.045 HD13 ' HD2' ' A' ' 54' ' ' PHE . 2.5 pt? -134.87 148.06 50.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.106 -0.996 . . . . 0.0 112.134 163.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -161.17 161.11 30.88 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.85 158.81 12.31 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.158 -0.964 . . . . 0.0 113.237 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.747 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.2 t -81.29 134.8 26.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 C-N-CA 116.097 -2.241 . . . . 0.0 109.809 151.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.479 ' HA ' ' H ' ' A' ' 69' ' ' SER . 93.2 mtt-85 -84.47 66.19 9.33 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 118.703 -2.498 . . . . 0.0 114.284 158.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.747 ' H ' HG12 ' A' ' 66' ' ' VAL . 28.6 m -97.61 9.48 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 128.825 2.85 . . . . 0.0 111.522 119.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.479 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 79.7 p -63.99 -43.24 96.31 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.0 p -57.54 -38.62 75.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -169.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -82.43 -41.7 19.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 127.7 3.125 . . . . 0.0 116.521 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -123.25 -27.23 4.17 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 119.471 1.032 . . . . 0.0 112.953 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.9 mttt 44.66 51.57 8.11 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -102.51 -36.41 8.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.447 -1.408 . . . . 0.0 112.068 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 27.0 m-85 -122.41 120.85 35.17 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 -140.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.5 mt -95.31 152.81 18.05 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.07 110.83 21.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.823 1.649 . . . . 0.0 109.421 167.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' A' ' 35' ' ' ILE . 83.6 tt0 -111.36 133.87 53.36 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.665 -0.647 . . . . 0.0 109.38 -175.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.914 HD22 HD12 ' A' ' 82' ' ' ILE . 2.2 mp -116.38 124.31 49.75 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 120.145 -1.597 . . . . 0.0 108.757 -174.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -107.23 121.88 45.43 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -168.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 81' ' ' ILE . 84.7 mt 45.8 53.24 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 O-C-N 125.097 1.498 . . . . 0.0 112.116 -163.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.069 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.9 tt . . . . . 0 C--O 1.208 -1.113 1 O-C-N 115.72 -4.363 . . . . 0.0 116.559 164.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.497 -1.089 0 CA-C-O 115.494 -2.193 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -100.79 116.2 32.12 Favored 'General case' 0 CA--C 1.477 -1.86 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.7 mtp -109.84 -0.28 18.42 Favored 'General case' 0 C--N 1.263 -3.194 0 C-N-CA 131.05 3.74 . . . . 0.0 115.437 152.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.1 mttt -95.13 16.82 15.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 126.888 2.618 . . . . 0.0 108.96 -163.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 4' ' ' LYS . 2.9 mp -127.39 151.68 48.49 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 20' ' ' GLU . 85.6 t -124.57 130.42 73.49 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 159.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 7' ' ' LEU . 5.5 mp -96.83 151.33 19.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.973 0.909 . . . . 0.0 112.01 170.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.698 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -67.91 142.04 56.17 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 130.668 3.587 . . . . 0.0 114.559 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.611 ' HE2' ' O ' ' A' ' 17' ' ' LYS . 88.7 mttt -62.16 -41.42 98.29 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.996 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -67.65 -45.49 75.15 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 116.199 -1.858 . . . . 0.0 114.973 -170.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.492 HG23 ' HB3' ' A' ' 40' ' ' PRO . 39.9 p -69.42 -43.01 74.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 120.716 1.598 . . . . 0.0 112.828 172.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.502 ' HG3' ' HB3' ' A' ' 7' ' ' LEU . 77.8 mmt-85 -102.32 -29.35 11.71 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 112.784 -3.484 . . . . 0.0 115.942 -162.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 54.55 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 123.099 2.681 . . . . 0.0 116.342 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p -97.19 -18.13 19.45 Favored 'General case' 0 N--CA 1.413 -2.322 1 CA-C-O 108.34 -5.6 . . . . 0.0 111.793 -162.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' OD2' HD22 ' A' ' 7' ' ' LEU . 41.0 p-10 -117.55 -10.14 10.68 Favored 'General case' 1 C--N 1.237 -4.29 1 CA-C-N 132.404 6.911 . . . . 0.0 114.878 177.945 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 -0.57 25.79 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 127.794 2.438 . . . . 0.0 116.178 -154.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.611 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 97.6 mttt -58.99 -33.48 70.75 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.336 -1.793 . . . . 0.0 109.709 -149.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -145.05 29.23 1.2 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 153.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.06 -37.98 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -155.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.619 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 34.9 tp10 -62.42 -45.85 91.22 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.319 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 77.0 mt -61.36 -53.78 52.25 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-O 114.09 -2.862 . . . . 0.0 108.304 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.36 -43.75 98.35 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 122.567 2.44 . . . . 0.0 112.144 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 55.2 t0 -64.92 -38.45 91.02 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 128.604 3.69 . . . . 0.0 107.844 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 14.2 mt -49.6 -61.51 2.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 123.869 1.795 . . . . 0.0 111.83 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 59' ' ' HIS . 73.1 t80 -66.02 -43.76 86.73 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.963 -1.085 . . . . 0.0 110.126 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -73.3 -42.47 62.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 119.594 -1.941 . . . . 0.0 114.323 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 34.2 tt0 -61.66 -44.55 96.75 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 115.073 -2.394 . . . . 0.0 105.777 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HD1' ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.77 -35.12 72.46 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 115.973 -2.291 . . . . 0.0 113.724 -177.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.4 p -65.44 -46.74 78.69 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-O 115.944 -1.979 . . . . 0.0 110.941 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -81.56 -41.15 22.01 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 125.694 1.871 . . . . 0.0 113.298 -165.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -159.74 149.07 18.01 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-O 125.039 2.352 . . . . 0.0 114.905 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 81' ' ' ILE . 96.9 mttt -102.48 116.22 32.17 Favored 'General case' 0 C--O 1.302 3.86 1 O-C-N 115.207 -4.683 . . . . 0.0 112.254 -170.105 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -175.82 166.52 3.09 Favored 'General case' 0 C--N 1.25 -3.744 0 CA-C-N 123.356 2.798 . . . . 0.0 108.336 -134.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.622 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 91.6 p -144.19 155.57 43.95 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 125.091 1.357 . . . . 0.0 110.107 -168.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.605 HD11 ' OE1' ' A' ' 78' ' ' GLU . 47.9 pt -131.31 149.15 32.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.593 1.187 . . . . 0.0 109.726 -169.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 92.2 m-85 -93.9 152.67 18.7 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-O 123.204 1.478 . . . . 0.0 108.41 148.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 16.6 t80 -123.4 112.4 17.51 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.85 1.26 . . . . 0.0 107.829 173.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 43.4 t80 -93.54 94.09 8.45 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 125.623 1.569 . . . . 0.0 111.847 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -135.25 143.2 44.63 Favored Pre-proline 0 C--O 1.206 -1.207 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' HB3' HG23 ' A' ' 11' ' ' THR . 73.3 Cg_endo -64.96 152.17 83.27 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 115.662 -2.426 . . . . 0.0 115.314 -124.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.0 m -69.1 -37.65 78.52 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 125.245 1.418 . . . . 0.0 111.488 158.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.98 -47.58 65.25 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 120.262 -1.524 . . . . 0.0 112.692 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.88 8.33 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.25 -166.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.5 m80 58.25 32.53 22.16 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 123.158 1.456 . . . . 0.0 111.517 -168.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.45 -54.86 2.83 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 124.409 1.083 . . . . 0.0 113.886 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.698 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 96.5 m-20 -61.19 -35.11 76.26 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 125.622 1.826 . . . . 0.0 107.077 172.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 58.2 ttm -66.21 -43.01 87.95 Favored 'General case' 0 N--CA 1.444 -0.768 1 O-C-N 116.064 -4.148 . . . . 0.0 114.651 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.14 -44.07 83.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.865 0.841 . . . . 0.0 110.382 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.36 -37.98 88.67 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.13 1.772 . . . . 0.0 112.437 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -55.53 -44.83 77.05 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.77 -42.92 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 123.354 1.55 . . . . 0.0 109.575 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.07 -44.28 72.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 116.755 -1.593 . . . . 0.0 114.041 172.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.42 -45.72 93.14 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 120.585 1.539 . . . . 0.0 110.045 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.974 ' HD2' HD22 ' A' ' 63' ' ' LEU . 22.5 m-30 -63.07 -47.26 83.68 Favored 'General case' 0 CA--C 1.468 -2.187 0 CA-C-O 113.804 -2.998 . . . . 0.0 104.079 -165.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.66 -39.5 94.09 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 121.518 1.963 . . . . 0.0 111.094 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -53.16 -45.43 68.45 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 117.902 -2.999 . . . . 0.0 113.453 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 98.1 mttt -93.42 144.09 25.66 Favored 'General case' 0 CA--C 1.463 -2.393 1 CA-C-O 111.401 -4.143 . . . . 0.0 116.261 176.171 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -6.67 59.02 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 127.928 2.68 . . . . 0.0 118.852 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CE1' ' HD3' ' A' ' 57' ' ' LYS . 63.5 m170 -68.75 -30.85 69.55 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 112.413 -3.66 . . . . 0.0 106.868 -152.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -101.13 146.61 27.25 Favored 'General case' 0 C--N 1.265 -3.081 1 CA-C-N 130.115 5.871 . . . . 0.0 112.783 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.3 -49.63 68.78 Favored 'General case' 0 CA--C 1.499 -1.01 0 O-C-N 118.121 -2.862 . . . . 0.0 118.135 170.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -145.22 153.53 41.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.853 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.974 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -127.02 135.01 50.23 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 160.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -159.6 145.6 16.04 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.86 158.81 7.69 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 116.725 -3.734 . . . . 0.0 116.813 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 68' ' ' VAL . 57.5 t -74.52 141.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-O 115.279 -2.296 . . . . 0.0 106.862 155.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.629 ' HD3' ' OG ' ' A' ' 69' ' ' SER . 40.4 mmt180 -90.63 61.51 4.87 Favored 'General case' 0 C--O 1.189 -2.101 1 CA-C-N 127.245 4.566 . . . . 0.0 118.305 151.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.703 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.4 m -96.87 7.44 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 127.525 2.33 . . . . 0.0 109.364 128.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.629 ' OG ' ' HD3' ' A' ' 67' ' ' ARG . 94.0 p -63.25 -43.23 98.59 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 127.146 2.178 . . . . 0.0 112.453 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.1 p -62.73 -34.44 77.18 Favored 'General case' 0 C--O 1.202 -1.408 0 CA-C-O 115.807 -2.044 . . . . 0.0 109.439 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -84.29 -51.11 7.25 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 116.432 -1.747 . . . . 0.0 114.815 167.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -120.54 -26.66 5.3 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 124.382 3.264 . . . . 0.0 107.256 -158.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 69' ' ' SER . 4.2 tptp 52.88 45.12 29.41 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 130.405 3.482 . . . . 0.0 113.271 172.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.21 -41.38 6.4 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.506 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 67.9 m-85 -108.68 117.32 33.87 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 127.906 2.482 . . . . 0.0 110.119 -152.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 94.0 mt -83.42 141.55 31.63 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.165 156.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CD2' HD11 ' A' ' 79' ' ' LEU . 28.2 t80 -104.3 114.32 28.48 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 123.248 1.499 . . . . 0.0 108.659 162.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.621 ' C ' HD12 ' A' ' 79' ' ' LEU . 85.1 tt0 -125.13 127.95 47.65 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -174.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.704 ' N ' HD12 ' A' ' 79' ' ' LEU . 3.6 mp -116.36 129.0 56.02 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 117.289 -3.382 . . . . 0.0 108.017 -161.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' NE2' HD23 ' A' ' 24' ' ' LEU . 2.1 m-70 -112.19 115.83 29.47 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 81' ' ' ILE . 63.2 mt 51.62 41.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.358 -174.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.622 ' CD1' ' HB3' ' A' ' 34' ' ' SER . 94.7 mt . . . . . 1 C--O 1.357 6.732 3 CA-C-O 109.571 -5.014 . . . . 0.0 110.194 -178.716 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 117.517 -1.23 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -114.87 122.06 45.15 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 118.606 2.817 . . . . 0.0 118.606 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.6 mmm -108.69 9.7 27.04 Favored 'General case' 0 C--O 1.172 -3.009 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 158.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.4 mttt -94.6 9.64 37.89 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 128.84 2.856 . . . . 0.0 113.299 -165.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.659 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 94.0 mt -115.55 145.48 42.61 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 20' ' ' GLU . 91.4 t -123.52 121.62 63.05 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.296 1 O-C-N 129.514 4.259 . . . . 0.0 116.05 169.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.7 mt -101.39 146.5 27.52 Favored 'General case' 0 C--O 1.183 -2.401 0 CA-C-O 125.236 2.446 . . . . 0.0 110.673 -166.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -58.47 135.69 57.33 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.259 -2.775 . . . . 0.0 116.282 163.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.97 -42.18 97.32 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-O 116.936 -1.507 . . . . 0.0 112.023 163.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.34 -49.1 75.27 Favored 'General case' 0 C--O 1.208 -1.128 0 O-C-N 124.968 1.418 . . . . 0.0 113.452 -151.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m -70.09 -44.89 68.13 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 118.185 2.661 . . . . 0.0 118.185 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.505 ' NE ' HD22 ' A' ' 7' ' ' LEU . 90.6 mtt-85 -86.21 -39.92 16.12 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 126.378 2.299 . . . . 0.0 108.994 -168.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 52.12 46.99 25.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 127.421 2.289 . . . . 0.0 110.261 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.1 p -87.89 -71.28 0.58 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 115.28 -2.568 . . . . 0.0 117.656 151.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 42.0 p-10 -152.09 5.51 0.42 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 174.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -61.55 -40.18 93.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 125.905 1.682 . . . . 0.0 107.062 -139.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 85.5 tttt -78.73 64.64 3.78 Favored 'General case' 0 C--O 1.182 -2.468 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.376 -162.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.9 p -124.16 -22.14 4.85 Favored 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 139.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG12 ' OD2' ' A' ' 23' ' ' ASP . 96.3 t -64.34 -35.57 74.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 C-N-CA 126.687 1.995 . . . . 0.0 114.145 -158.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.691 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . 34.1 tp10 -60.14 -43.7 95.52 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 120.78 -1.2 . . . . 0.0 109.341 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD22 ' HD2' ' A' ' 57' ' ' LYS . 97.2 mt -62.92 -47.29 83.9 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.32 -36.97 85.69 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 119.144 -2.222 . . . . 0.0 110.976 174.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' OD2' HG12 ' A' ' 19' ' ' VAL . 94.6 m-20 -64.96 -40.56 95.17 Favored 'General case' 0 CA--C 1.473 -2.015 0 O-C-N 126.315 2.259 . . . . 0.0 110.934 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 80' ' ' HIS . 68.0 mt -49.35 -58.42 5.13 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 123.861 1.791 . . . . 0.0 108.651 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.58 -49.35 69.14 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -69.65 -42.67 73.93 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.592 -169.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.769 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 97.1 mt-10 -65.77 -43.39 88.98 Favored 'General case' 0 C--O 1.2 -1.515 0 O-C-N 126.265 2.228 . . . . 0.0 110.452 -175.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 81' ' ' ILE . 2.4 t80 -56.63 -52.56 64.42 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 124.888 1.367 . . . . 0.0 107.696 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.8 p -61.83 -46.59 88.81 Favored 'General case' 0 CA--C 1.49 -1.337 0 O-C-N 125.483 1.739 . . . . 0.0 112.298 -170.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.73 -46.39 37.76 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 128.218 3.449 . . . . 0.0 108.0 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.672 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 20.6 t0 -151.22 159.81 44.18 Favored 'General case' 0 N--CA 1.423 -1.813 0 O-C-N 121.027 -1.045 . . . . 0.0 113.776 -165.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.71 110.61 21.7 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 117.656 -3.153 . . . . 0.0 112.946 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 13.6 ptm180 -167.8 159.36 11.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 120.754 1.616 . . . . 0.0 109.756 -136.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.582 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 74.7 p -131.1 154.17 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 -163.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.7 pt -134.92 162.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 123.97 0.908 . . . . 0.0 108.551 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.659 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 90.2 m-85 -114.04 123.31 49.38 Favored 'General case' 0 C--O 1.194 -1.825 0 C-N-CA 128.537 2.735 . . . . 0.0 103.853 166.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.691 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t80 -85.12 115.83 23.14 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 131.243 3.817 . . . . 0.0 114.003 164.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.4 t80 -104.59 88.86 3.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 116.487 -3.883 . . . . 0.0 111.408 -175.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.815 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -139.91 151.58 65.8 Favored Pre-proline 0 CA--C 1.498 -1.045 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 -166.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.638 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.9 Cg_exo -62.74 149.82 90.04 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 113.509 -3.86 . . . . 0.0 115.936 -130.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.5 m -63.95 -43.89 94.45 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 126.297 2.248 . . . . 0.0 115.972 154.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -65.04 -42.97 93.83 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.772 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -101.58 -40.0 7.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.424 -1.423 . . . . 0.0 111.106 -176.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.658 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 97.2 m-70 60.15 23.53 12.83 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 130.222 3.409 . . . . 0.0 114.593 -158.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.772 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.4 mttt -91.89 -44.77 8.73 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 115.498 -2.481 . . . . 0.0 106.111 -158.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 67.6 m-20 -62.59 -41.24 98.84 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 125.215 1.572 . . . . 0.0 107.461 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.99 -43.73 98.43 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.16 -37.1 83.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.16 -33.58 75.72 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 118.575 -2.578 . . . . 0.0 117.837 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.95 -40.9 73.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 123.053 1.406 . . . . 0.0 114.754 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.34 -45.81 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 CA-C-O 123.293 1.521 . . . . 0.0 108.804 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.28 -40.97 97.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -58.62 -43.54 89.69 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 120.445 -1.409 . . . . 0.0 112.155 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.1 m-85 -63.49 -43.37 97.46 Favored 'General case' 1 C--O 1.144 -4.449 0 CA-C-O 116.372 -1.775 . . . . 0.0 110.789 -177.223 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.67 -39.51 94.51 Favored 'General case' 0 CA--C 1.476 -1.876 0 CA-C-N 120.156 1.344 . . . . 0.0 111.0 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.01 -50.19 71.55 Favored 'General case' 0 CA--C 1.459 -2.541 0 CA-C-O 113.724 -3.036 . . . . 0.0 111.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.667 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.8 mttt -107.69 134.82 50.12 Favored 'General case' 0 C--O 1.183 -2.443 0 O-C-N 127.554 3.034 . . . . 0.0 117.39 -170.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.82 -10.67 77.27 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-O 114.498 -3.39 . . . . 0.0 120.175 -168.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.657 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 51.4 m80 -62.4 -42.9 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 123.956 3.878 . . . . 0.0 120.542 -168.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.7 t -67.69 155.88 38.2 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 118.08 -2.888 . . . . 0.0 108.101 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.866 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -97.26 -38.64 9.6 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.966 168.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 88.6 t80 -141.68 138.02 32.16 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.632 HD22 ' HD2' ' A' ' 54' ' ' PHE . 68.6 tp -123.18 130.38 52.68 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 119.901 -1.75 . . . . 0.0 107.015 175.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.645 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 16.7 t0 -139.1 165.22 27.72 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.624 1.969 . . . . 0.0 112.793 166.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 97.6 mt-10 -74.27 172.64 11.46 Favored 'General case' 0 C--N 1.329 -0.307 1 O-C-N 115.376 -4.578 . . . . 0.0 113.668 167.217 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 58.4 t -98.68 129.05 49.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 116.544 -2.062 . . . . 0.0 109.62 152.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.808 ' HA ' ' H ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -86.19 71.91 10.46 Favored 'General case' 1 C--O 1.103 -6.637 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.768 155.542 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -99.83 23.75 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.398 1 C-N-CA 133.044 4.538 . . . . 0.0 104.967 114.052 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.808 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 74.4 p -63.37 -37.54 87.68 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.102 -0.998 . . . . 0.0 109.547 173.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.0 m -60.84 -44.15 97.36 Favored 'General case' 0 N--CA 1.423 -1.779 0 C-N-CA 115.446 -2.502 . . . . 0.0 113.366 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -72.58 -47.28 49.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 119.875 3.287 . . . . 0.0 119.875 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -128.96 -33.62 1.98 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -160.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HE2' ' CE1' ' A' ' 44' ' ' HIS . 88.6 tttt 50.34 55.08 10.02 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 128.659 2.784 . . . . 0.0 110.674 151.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 29.4 p-10 -139.95 -0.12 1.71 Allowed 'General case' 0 C--N 1.268 -2.967 0 O-C-N 116.743 -3.723 . . . . 0.0 115.716 163.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.626 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 72.3 m-85 -101.16 127.22 47.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.526 1.966 . . . . 0.0 109.792 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.66 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 83.0 mt -96.58 131.18 43.47 Favored 'General case' 0 C--O 1.208 -1.096 0 C-N-CA 128.194 2.597 . . . . 0.0 112.942 158.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -108.98 112.07 24.07 Favored 'General case' 0 N--CA 1.426 -1.643 0 O-C-N 119.679 -1.888 . . . . 0.0 107.44 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.604 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -132.06 127.14 35.51 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -168.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 82' ' ' ILE . 4.8 mp -116.58 128.18 55.17 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -159.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.764 ' CE1' HD23 ' A' ' 24' ' ' LEU . 36.3 m-70 -97.12 128.34 43.94 Favored 'General case' 0 CA--C 1.48 -1.749 0 CA-C-O 116.791 -1.576 . . . . 0.0 107.792 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 81' ' ' ILE . 17.1 tt 29.01 66.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 128.207 3.442 . . . . 0.0 116.003 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.866 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.0 tt . . . . . 0 N--CA 1.509 2.524 0 C-N-CA 129.016 2.926 . . . . 0.0 116.42 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.494 -1.21 0 CA-C-O 116.748 -1.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -121.29 137.0 54.89 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 116.252 -1.832 . . . . 0.0 114.923 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mmm -120.41 15.84 12.13 Favored 'General case' 0 N--CA 1.506 2.338 1 C-N-CA 132.41 4.284 . . . . 0.0 117.37 163.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -110.31 23.18 14.61 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 119.924 -1.735 . . . . 0.0 114.042 -171.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 5.8 mp -127.59 154.02 45.71 Favored 'General case' 0 C--O 1.207 -1.168 0 O-C-N 120.232 -1.542 . . . . 0.0 108.508 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 20' ' ' GLU . 96.2 t -122.82 125.72 72.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 124.606 1.191 . . . . 0.0 110.702 169.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.0 mt -88.94 139.77 30.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 123.291 1.52 . . . . 0.0 111.541 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.778 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -59.01 144.45 45.17 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.748 1.219 . . . . 0.0 109.295 166.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 62.2 pttt -61.92 -45.97 91.39 Favored 'General case' 0 C--O 1.199 -1.597 0 CA-C-O 117.077 -1.44 . . . . 0.0 111.851 160.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.58 -47.16 79.75 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 123.757 2.98 . . . . 0.0 115.136 -148.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 m -72.32 -40.58 67.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.912 2.485 . . . . 0.0 115.828 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -100.89 -54.6 2.77 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 118.926 -2.359 . . . . 0.0 109.739 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 96.9 mttt 44.0 48.88 7.35 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -162.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.9 p -78.7 -47.76 16.3 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.582 2.447 . . . . 0.0 114.594 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -164.35 7.47 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 127.27 2.228 . . . . 0.0 113.386 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -62.87 -40.84 98.72 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 122.165 0.983 . . . . 0.0 108.966 -151.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HD2' ' HD3' ' A' ' 9' ' ' LYS . 88.6 tttt -58.67 146.8 35.08 Favored 'General case' 0 C--O 1.204 -1.305 0 CA-C-O 116.902 -1.523 . . . . 0.0 112.345 -160.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 m 63.1 14.66 7.84 Favored 'General case' 0 N--CA 1.489 1.496 1 C-N-CA 132.188 4.195 . . . . 0.0 113.28 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.15 -36.94 70.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.939 2.096 . . . . 0.0 113.647 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 25.1 pt-20 -58.38 -49.21 78.08 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 115.048 -2.406 . . . . 0.0 108.387 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 57' ' ' LYS . 77.8 mt -64.75 -45.26 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 123.632 2.923 . . . . 0.0 109.284 -161.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.08 -40.27 88.95 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 130.284 3.434 . . . . 0.0 114.417 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -65.78 -40.23 91.76 Favored 'General case' 0 CA--C 1.482 -1.637 0 O-C-N 124.999 1.437 . . . . 0.0 110.22 173.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 47.7 mt -59.11 -50.46 73.96 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -64.48 -51.19 64.3 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -69.1 -42.58 75.93 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 124.567 1.167 . . . . 0.0 111.283 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.5 -44.1 83.5 Favored 'General case' 0 CA--C 1.48 -1.744 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.6 t80 -57.94 -49.72 75.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -66.27 -40.45 90.11 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.723 1.209 . . . . 0.0 113.068 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -78.49 -44.52 24.28 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.995 1.318 . . . . 0.0 111.341 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.2 167.38 27.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.533 1.933 . . . . 0.0 113.696 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -122.62 126.51 47.81 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 117.981 -2.949 . . . . 0.0 114.312 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.78 ' HG2' ' H ' ' A' ' 34' ' ' SER . 28.5 ttm180 -172.26 -179.78 2.38 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 128.663 2.785 . . . . 0.0 112.827 -131.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 82.5 p -152.66 165.17 36.08 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 117.52 -3.237 . . . . 0.0 107.368 -176.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 pt -147.96 158.1 8.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 123.642 1.687 . . . . 0.0 109.385 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 81.9 m-85 -101.36 139.17 37.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.649 -2.069 . . . . 0.0 110.59 158.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 22.4 t80 -107.48 101.16 10.52 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 168.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -94.07 92.82 7.5 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 130.844 3.658 . . . . 0.0 105.44 -166.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.83 149.56 53.54 Favored Pre-proline 0 C--O 1.19 -2.055 0 CA-C-N 114.497 -1.229 . . . . 0.0 107.95 -160.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.7 Cg_endo -66.37 148.63 84.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-N 120.003 1.037 . . . . 0.0 114.128 -129.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -69.87 -37.2 76.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.8 1.762 . . . . 0.0 109.561 161.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.62 -39.55 80.75 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 127.465 2.306 . . . . 0.0 113.934 -158.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.264 . . -132.16 -16.62 2.79 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -174.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 m80 47.38 39.74 9.57 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 124.891 1.276 . . . . 0.0 108.963 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -97.12 -48.09 5.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.444 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 92.7 m-20 -63.41 -36.86 85.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.677 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.4 ttp -64.44 -42.13 96.16 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 119.284 0.947 . . . . 0.0 112.794 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.07 -42.08 98.83 Favored 'General case' 0 C--N 1.345 0.391 0 O-C-N 121.646 -0.659 . . . . 0.0 110.651 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 98.2 mttt -66.14 -33.4 75.69 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.176 -1.392 . . . . 0.0 111.458 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -59.02 -40.67 85.68 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 124.137 0.898 . . . . 0.0 112.323 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.26 -45.49 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.826 -1.15 . . . . 0.0 108.712 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.37 -44.47 94.71 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.446 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 21.2 m-30 -64.96 -35.71 82.05 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-O 122.025 0.917 . . . . 0.0 113.339 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.858 ' HD2' HD22 ' A' ' 63' ' ' LEU . 18.6 m-30 -68.19 -35.27 77.74 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.867 -173.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -35.64 75.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 127.927 2.491 . . . . 0.0 113.556 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.76 -39.35 77.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 116.546 -1.693 . . . . 0.0 110.962 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -112.86 139.77 48.22 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.37 37.42 3.14 Favored Glycine 0 CA--C 1.563 3.089 0 N-CA-C 122.726 3.85 . . . . 0.0 122.726 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.0 m-70 -93.15 -35.11 13.34 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 124.001 3.9 . . . . 0.0 113.218 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t -66.09 150.19 49.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.77 12.57 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.378 -1.283 . . . . 0.0 107.833 167.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -157.76 154.24 27.85 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -169.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 54' ' ' PHE . 64.7 tp -129.61 137.03 50.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.895 1.278 . . . . 0.0 112.053 172.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.9 t0 -149.75 -179.98 7.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 165.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -82.48 169.98 15.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 119.29 -2.131 . . . . 0.0 112.348 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.012 HG23 ' H ' ' A' ' 69' ' ' SER . 27.8 m -77.4 166.96 2.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 125.603 3.819 . . . . 0.0 110.847 142.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -71.39 -34.34 70.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.524 3.53 . . . . 0.0 115.87 167.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.0 -3.1 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 118.839 -2.413 . . . . 0.0 110.799 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 1.012 ' H ' HG23 ' A' ' 66' ' ' VAL . 69.9 m -76.31 47.96 0.5 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 120.273 -1.517 . . . . 0.0 113.483 140.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.5 p -99.29 -56.48 2.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 132.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -71.33 -38.43 71.67 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 128.07 2.548 . . . . 0.0 112.013 -157.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.13 -22.74 2.81 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.68 1.192 . . . . 0.0 113.16 -168.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.13 50.27 13.91 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 113.986 -2.912 . . . . 0.0 113.707 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -117.48 -39.54 3.16 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 96.8 m-85 -106.72 122.09 45.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 124.117 0.886 . . . . 0.0 112.464 -171.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 93.0 mt -87.61 146.0 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.548 -0.72 . . . . 0.0 111.371 157.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 79' ' ' LEU . 33.9 t80 -108.08 112.68 25.35 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.186 0.594 . . . . 0.0 110.753 175.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.548 ' C ' HD12 ' A' ' 79' ' ' LEU . 67.4 tt0 -127.15 129.86 48.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.274 -173.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp -120.54 137.67 54.26 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -164.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.421 ' CE1' HD23 ' A' ' 24' ' ' LEU . 43.1 m170 -110.17 120.02 41.1 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 116.543 -1.694 . . . . 0.0 107.568 -167.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt 57.89 -32.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 -164.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 82' ' ' ILE . 91.4 mt . . . . . 0 N--CA 1.497 1.905 0 CA-C-N 123.167 2.712 . . . . 0.0 113.312 -166.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.235 0.313 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -100.21 116.89 33.26 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 117.985 -1.486 . . . . 0.0 107.528 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mtp -116.87 29.84 7.69 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.36 -2.2 . . . . 0.0 113.328 161.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 51.39 43.92 29.22 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.691 1.587 . . . . 0.0 109.846 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -130.69 166.07 21.51 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.327 172.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.533 ' HB ' ' CD2' ' A' ' 37' ' ' TYR . 79.5 t -121.43 145.02 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.622 161.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.9 mt -118.28 140.78 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -63.29 159.09 18.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.867 2.067 . . . . 0.0 112.522 166.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.46 -14.1 24.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 118.304 -2.748 . . . . 0.0 118.008 174.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.528 HD22 ' HG3' ' A' ' 40' ' ' PRO . 97.9 m-20 -67.24 -39.1 86.14 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 126.033 1.733 . . . . 0.0 107.891 -169.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -101.38 -45.6 5.27 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 125.155 1.534 . . . . 0.0 114.21 -163.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -99.23 -50.37 4.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.234 1.414 . . . . 0.0 114.35 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 87.6 tttt 51.38 52.08 15.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.603 0.761 . . . . 0.0 112.654 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p -92.03 -56.37 3.1 Favored 'General case' 0 C--O 1.183 -2.396 0 O-C-N 119.7 -1.875 . . . . 0.0 114.731 171.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -152.56 17.15 0.61 Allowed 'General case' 0 C--O 1.185 -2.29 0 O-C-N 121.24 -0.912 . . . . 0.0 113.22 163.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.631 ' O ' HG13 ' A' ' 19' ' ' VAL . . . -66.76 -37.31 84.37 Favored 'General case' 0 C--O 1.202 -1.397 0 C-N-CA 125.484 1.514 . . . . 0.0 114.901 -157.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 tttt -56.31 145.53 26.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -159.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 m 55.11 38.04 29.84 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.807 1.317 . . . . 0.0 107.873 166.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 16' ' ' ALA . 19.1 m -98.49 -22.05 4.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 CA-C-O 115.781 -2.057 . . . . 0.0 108.62 169.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.788 ' O ' HD13 ' A' ' 24' ' ' LEU . 24.8 pt-20 -63.11 -36.42 83.54 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 115.11 -2.636 . . . . 0.0 108.172 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.077 HD22 ' HE3' ' A' ' 57' ' ' LYS . 98.8 mt -63.86 -50.23 69.64 Favored 'General case' 0 N--CA 1.438 -1.037 1 O-C-N 115.179 -4.701 . . . . 0.0 113.981 -178.57 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.26 -38.9 91.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.745 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.66 -36.67 78.87 Favored 'General case' 0 CA--C 1.482 -1.646 0 C-N-CA 119.949 -0.701 . . . . 0.0 109.362 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 20' ' ' GLU . 11.2 mp -58.63 -59.19 5.79 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.958 -1.973 . . . . 0.0 106.886 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -59.67 -41.62 91.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 116.944 -1.903 . . . . 0.0 107.769 -163.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.46 -35.13 11.82 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.273 -1.785 . . . . 0.0 114.136 -162.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.846 ' OE1' HD11 ' A' ' 35' ' ' ILE . 94.2 mt-10 -60.47 -38.01 82.85 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.741 ' HE2' HD11 ' A' ' 81' ' ' ILE . 12.2 t80 -58.46 -49.8 76.01 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 127.908 2.483 . . . . 0.0 113.793 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -73.66 -33.52 64.52 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 116.293 -1.813 . . . . 0.0 115.831 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -82.98 -39.97 20.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 126.765 2.541 . . . . 0.0 114.253 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.03 166.24 33.89 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -109.62 120.51 42.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 117.242 -1.783 . . . . 0.0 112.092 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HG2' ' N ' ' A' ' 34' ' ' SER . 33.2 ttm180 -152.09 173.14 15.28 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 121.984 2.175 . . . . 0.0 110.361 -146.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.571 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 50.1 m -125.34 167.47 14.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 119.693 -1.88 . . . . 0.0 109.783 157.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.846 HD11 ' OE1' ' A' ' 27' ' ' GLU . 83.1 mt -131.4 153.47 38.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 C-N-CA 125.878 1.671 . . . . 0.0 111.602 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 5' ' ' LEU . 54.4 p90 -114.57 151.78 32.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 124.2 1.952 . . . . 0.0 113.767 148.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 86.4 m-85 -116.62 124.74 50.52 Favored 'General case' 0 C--O 1.203 -1.349 0 O-C-N 120.798 -1.189 . . . . 0.0 108.405 -171.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 7' ' ' LEU . 63.4 t80 -105.97 94.8 5.37 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.485 1.914 . . . . 0.0 113.56 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 46' ' ' ASP . . . -138.91 144.82 42.95 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 10' ' ' ASN . 65.6 Cg_endo -69.96 153.45 68.02 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 -113.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 m -70.58 -39.84 73.62 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 170.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.67 -44.89 84.89 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -25.27 8.46 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.423 ' H ' ' HG2' ' A' ' 40' ' ' PRO . 95.3 m-70 54.7 40.88 32.17 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 120.339 -1.476 . . . . 0.0 110.359 -174.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -99.82 -56.37 2.4 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 117.26 2.319 . . . . 0.0 117.26 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -60.67 -34.65 74.64 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 125.441 1.713 . . . . 0.0 107.882 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.516 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.3 ttp -67.28 -45.1 77.61 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 tp -57.15 -44.14 83.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.284 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.95 -33.06 71.61 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.11 0.964 . . . . 0.0 112.594 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.1 86.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.186 0.993 . . . . 0.0 113.095 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.0 t -55.94 -44.35 77.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.214 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.18 -41.84 94.2 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.491 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 20.0 m-30 -58.43 -39.87 80.99 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.249 0.968 . . . . 0.0 112.056 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.952 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.1 m-30 -73.51 -37.34 65.71 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -157.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.61 -42.54 67.54 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-N 111.667 -2.515 . . . . 0.0 110.665 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -41.21 90.75 Favored 'General case' 1 C--N 1.231 -4.565 0 CA-C-N 125.922 3.965 . . . . 0.0 110.701 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 1.077 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.3 mmtt -66.97 -61.46 1.93 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 119.409 3.114 . . . . 0.0 119.409 -165.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.18 12.57 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 128.742 3.068 . . . . 0.0 118.358 -160.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 36.7 m170 -120.97 7.21 10.35 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -110.45 -140.78 0.38 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 -146.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.12 -66.27 0.71 Allowed 'General case' 0 C--O 1.164 -3.41 1 N-CA-C 98.743 -4.54 . . . . 0.0 98.743 126.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -130.59 155.73 46.04 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 125.412 1.695 . . . . 0.0 110.702 -161.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 54' ' ' PHE . 51.9 tp -126.36 128.38 46.98 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 167.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -116.03 170.41 8.51 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 126.275 1.83 . . . . 0.0 112.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 24.0 pt-20 -81.22 166.69 20.36 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.296 -1.503 . . . . 0.0 112.271 160.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 77' ' ' TYR . 76.6 t -103.74 130.79 53.67 Favored 'Isoleucine or valine' 0 C--O 1.265 1.88 0 CA-C-O 113.975 -2.917 . . . . 0.0 116.579 153.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.545 ' HA ' ' H ' ' A' ' 69' ' ' SER . 79.8 mtt85 -81.65 59.95 4.39 Favored 'General case' 0 C--O 1.192 -1.938 1 C-N-CA 132.003 4.121 . . . . 0.0 116.083 161.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.69 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.3 m -107.66 26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 1 O-C-N 115.734 -4.354 . . . . 0.0 106.893 123.677 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.562 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 59.3 p -67.82 -35.24 78.25 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.823 2.449 . . . . 0.0 113.24 -176.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -61.74 -41.8 98.13 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.995 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -73.86 -45.84 48.6 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -113.96 -50.8 2.81 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.283 -2.76 . . . . 0.0 108.064 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 63.1 tttp 61.94 25.05 15.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 129.071 2.949 . . . . 0.0 112.084 -172.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -93.22 -16.7 24.52 Favored 'General case' 0 CA--C 1.49 -1.331 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -109.67 118.07 35.58 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 122.168 0.985 . . . . 0.0 109.453 -162.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 82.6 mt -107.27 147.39 30.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 124.012 0.925 . . . . 0.0 110.27 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 66' ' ' VAL . 59.8 t80 -125.25 101.43 6.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.025 -152.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.677 ' C ' HD12 ' A' ' 79' ' ' LEU . 47.9 tt0 -120.08 147.78 44.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 120.436 1.471 . . . . 0.0 107.569 -167.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 82' ' ' ILE . 3.0 mp -127.33 133.64 50.07 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 35' ' ' ILE . 66.1 m80 -113.17 116.48 29.89 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.864 1.266 . . . . 0.0 108.091 -170.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 81' ' ' ILE . 30.3 mm 49.27 44.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -168.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.015 ' CD1' HD23 ' A' ' 79' ' ' LEU 0.279 18.5 tt . . . . . 0 C--O 1.247 0.937 1 CA-C-O 110.53 -4.557 . . . . 0.0 113.916 -170.317 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.53 133.91 47.48 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 171.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm -124.52 21.63 8.52 Favored 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 130.127 3.371 . . . . 0.0 117.186 156.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.548 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.0 mttt -86.48 9.59 17.8 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 119.89 -1.756 . . . . 0.0 110.043 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -121.49 160.62 23.83 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 119.739 -1.851 . . . . 0.0 107.349 -169.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 20' ' ' GLU . 87.7 t -137.9 117.22 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 112.094 -2.321 . . . . 0.0 105.833 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.2 mt -94.95 141.41 28.68 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 123.142 1.448 . . . . 0.0 110.283 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.703 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -68.76 148.66 50.02 Favored 'General case' 0 C--O 1.26 1.609 0 C-N-CA 126.704 2.002 . . . . 0.0 113.983 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.562 ' HE2' ' HD3' ' A' ' 17' ' ' LYS . 64.6 pttt -80.75 -15.95 55.12 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 117.627 -3.17 . . . . 0.0 113.09 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -62.99 -40.49 97.9 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 123.294 2.77 . . . . 0.0 105.308 -169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -68.51 -38.17 80.67 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 119.378 -0.929 . . . . 0.0 113.271 -167.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -124.23 -20.58 5.22 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 116.093 -1.908 . . . . 0.0 113.065 -172.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 49.87 47.05 23.66 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.528 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.0 -77.53 0.44 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 114.539 -2.864 . . . . 0.0 111.693 157.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -154.55 19.46 0.47 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 19' ' ' VAL . . . -66.65 -33.92 76.72 Favored 'General case' 0 C--O 1.197 -1.691 0 O-C-N 119.381 -2.075 . . . . 0.0 112.829 -157.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD3' ' HE2' ' A' ' 9' ' ' LYS . 88.5 tttt -57.56 -44.88 85.58 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.444 1.498 . . . . 0.0 109.909 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -55.07 -39.31 69.12 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.788 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 74.7 t -59.92 -27.76 39.29 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.181 0 O-C-N 126.965 2.665 . . . . 0.0 113.276 -167.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.928 ' HB2' HG11 ' A' ' 6' ' ' VAL . 25.6 tp10 -56.94 -45.32 82.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 117.493 -1.683 . . . . 0.0 113.28 168.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD22 ' HE3' ' A' ' 57' ' ' LYS . 95.6 mt -60.86 -47.56 85.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 119.819 -1.801 . . . . 0.0 110.705 -174.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.22 -38.85 91.72 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.253 1.021 . . . . 0.0 112.8 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -38.72 89.1 Favored 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 116.718 -1.611 . . . . 0.0 110.951 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' CE1' ' A' ' 80' ' ' HIS . 32.6 mt -53.79 -56.12 20.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.136 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 82.2 t80 -63.33 -46.67 85.55 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.322 -174.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -76.3 -40.23 52.08 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.55 -43.13 99.56 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 124.433 1.093 . . . . 0.0 108.985 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.622 ' HE2' HG13 ' A' ' 81' ' ' ILE . 23.5 t80 -60.64 -49.84 75.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -65.65 -40.49 92.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.126 -1.892 . . . . 0.0 111.516 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.31 -51.95 9.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.756 1.285 . . . . 0.0 109.657 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -128.54 157.51 41.0 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 126.268 1.827 . . . . 0.0 107.865 -157.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.97 103.68 11.64 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 162.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -160.13 159.3 31.6 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -139.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.773 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 96.8 p -129.88 155.23 46.36 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.12 -169.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 15.6 pt -126.31 156.98 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 120.792 1.633 . . . . 0.0 110.48 -174.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 54.7 m-85 -102.78 123.28 46.15 Favored 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 120.639 3.57 . . . . 0.0 120.639 149.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 54.4 t80 -109.48 98.2 7.63 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 -160.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HB3' HD23 ' A' ' 7' ' ' LEU . 25.3 t80 -95.49 94.42 7.78 Favored 'General case' 0 C--O 1.25 1.093 0 C-N-CA 130.179 3.392 . . . . 0.0 106.826 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 8' ' ' ALA . . . -144.58 142.95 19.96 Favored Pre-proline 0 CA--C 1.496 -1.123 0 C-N-CA 125.784 1.634 . . . . 0.0 113.832 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.79 156.34 65.77 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 114.411 -3.26 . . . . 0.0 109.266 -121.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.0 m -67.21 -37.2 83.24 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 125.6 1.812 . . . . 0.0 115.221 161.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.44 -41.7 55.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 127.507 2.323 . . . . 0.0 114.75 -173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.96 -26.89 10.49 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.675 -1.21 . . . . 0.0 112.837 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.605 ' ND1' ' HE2' ' A' ' 73' ' ' LYS . 14.6 t60 61.61 22.35 12.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.042 2.537 . . . . 0.0 112.751 -170.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -97.36 -52.89 3.64 Favored 'General case' 0 CA--C 1.468 -2.199 0 O-C-N 120.901 -1.125 . . . . 0.0 111.599 -157.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.703 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 89.3 m-20 -59.34 -35.86 74.64 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 126.478 2.361 . . . . 0.0 109.291 170.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.1 ttm -68.58 -40.91 80.34 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.9 -43.94 94.53 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.6 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 99.2 mttt -63.48 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.465 1.106 . . . . 0.0 112.647 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -56.68 -48.37 77.79 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.3 -43.87 94.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -67.93 -40.17 83.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 118.461 -2.649 . . . . 0.0 114.838 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 7.2 m-30 -61.04 -45.16 95.91 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 121.758 -0.588 . . . . 0.0 112.277 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.802 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.6 m-30 -60.58 -46.03 91.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 -165.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.8 -43.58 98.57 Favored 'General case' 0 CA--C 1.492 -1.286 0 O-C-N 126.465 2.353 . . . . 0.0 110.184 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.01 -42.15 79.81 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.556 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HE3' HD22 ' A' ' 21' ' ' LEU . 71.6 mmtt -61.73 -65.81 0.63 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.81 38.2 20.59 Favored Glycine 0 CA--C 1.557 2.666 0 N-CA-C 120.843 3.097 . . . . 0.0 120.843 -156.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HD1' ' A' ' 25' ' ' TYR . 95.6 m-70 -106.3 -34.1 7.57 Favored 'General case' 0 N--CA 1.511 2.59 0 CA-C-N 123.585 3.693 . . . . 0.0 118.088 160.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.1 t -67.46 153.38 43.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.689 1.596 . . . . 0.0 108.243 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB2' ' HA ' ' A' ' 81' ' ' ILE . . . -89.82 -39.88 12.81 Favored 'General case' 0 N--CA 1.426 -1.66 0 O-C-N 120.38 -1.45 . . . . 0.0 108.751 171.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 78.9 t80 -149.37 152.52 35.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.623 1.827 . . . . 0.0 111.919 -170.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.802 HD22 ' HD2' ' A' ' 54' ' ' PHE . 60.8 tp -133.45 137.91 45.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.732 1.213 . . . . 0.0 109.688 169.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.596 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 39.6 t0 -145.54 161.19 40.36 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 128.136 2.575 . . . . 0.0 114.921 172.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -72.32 161.73 30.45 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 118.049 -2.907 . . . . 0.0 109.132 168.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.834 HG12 ' H ' ' A' ' 68' ' ' VAL . 56.1 t -91.04 133.58 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 150.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.53 ' HA ' ' H ' ' A' ' 69' ' ' SER . 30.9 mmt180 -85.21 63.72 8.26 Favored 'General case' 0 C--O 1.198 -1.645 0 O-C-N 119.35 -2.094 . . . . 0.0 114.353 152.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.834 ' H ' HG12 ' A' ' 66' ' ' VAL . 19.3 m -99.12 19.17 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.514 -1.991 . . . . 0.0 107.076 128.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.53 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 94.1 p -62.19 -48.88 78.09 Favored 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 127.197 2.199 . . . . 0.0 105.934 -170.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -62.51 -39.61 94.09 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.94 -40.12 68.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -131.35 -35.14 1.35 Allowed 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -167.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.662 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 86.0 tttt 59.28 39.57 22.37 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 130.074 3.35 . . . . 0.0 118.589 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -135.07 -7.05 2.34 Favored 'General case' 0 C--N 1.288 -2.074 1 O-C-N 115.322 -4.611 . . . . 0.0 115.707 -167.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 36' ' ' PHE . 40.2 m-85 -101.87 117.51 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 126.0 2.063 . . . . 0.0 114.084 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 56.8 mt -78.58 141.31 38.18 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.61 145.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.672 ' CD2' HD11 ' A' ' 79' ' ' LEU . 25.1 t80 -95.29 98.8 10.86 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 128.332 2.653 . . . . 0.0 108.178 171.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.762 ' C ' HD12 ' A' ' 79' ' ' LEU . 84.5 tt0 -119.91 121.33 38.78 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 122.307 2.321 . . . . 0.0 111.391 -174.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.773 ' HG ' ' HB2' ' A' ' 34' ' ' SER . 4.8 mp -121.37 134.51 55.12 Favored 'General case' 0 CA--C 1.487 -1.453 0 O-C-N 119.159 -2.213 . . . . 0.0 109.541 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.666 ' CE1' HD23 ' A' ' 24' ' ' LEU . 30.2 m170 -113.2 125.24 54.12 Favored 'General case' 0 CA--C 1.481 -1.687 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.031 -160.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.937 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 32.5 mm 0.55 98.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -138.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 168.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.182 -2.474 1 CA-C-O 111.448 -4.12 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -127.09 161.19 29.03 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 103.755 -2.684 . . . . 0.0 103.755 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.9 mtm -132.45 -58.66 0.93 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 121.574 1.988 . . . . 0.0 113.717 138.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' ILE . 97.7 mttt -89.82 -7.61 53.96 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 176.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 36' ' ' PHE . 51.6 tp -113.22 132.54 55.47 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 120.348 1.431 . . . . 0.0 113.093 -163.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.0 HG21 ' OE1' ' A' ' 20' ' ' GLU . 61.9 t -105.35 137.39 35.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 171.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.65 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 84.4 mt -107.53 141.39 39.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.74 1.733 . . . . 0.0 106.7 174.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -55.79 148.32 16.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.601 1.961 . . . . 0.0 111.342 163.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.6 pttt -61.75 -48.05 82.42 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-O 115.87 -2.014 . . . . 0.0 112.243 163.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.427 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 86.0 m-20 -71.83 -42.23 67.22 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 121.605 2.002 . . . . 0.0 113.548 -149.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 40' ' ' PRO . 52.8 m -70.81 -46.28 63.1 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 125.357 1.66 . . . . 0.0 111.514 176.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -106.52 -35.78 6.97 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.435 -160.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 89.7 mttt 47.61 33.57 3.07 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 120.917 1.69 . . . . 0.0 113.464 160.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -105.92 -44.63 4.57 Favored 'General case' 0 CA--C 1.496 -1.096 0 C-N-CA 116.643 -2.023 . . . . 0.0 108.388 -168.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -149.53 -9.61 0.31 Allowed 'General case' 0 C--N 1.303 -1.425 1 C-N-CA 132.164 4.186 . . . . 0.0 112.756 163.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 7' ' ' LEU . . . -85.68 -2.8 58.56 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 123.121 1.439 . . . . 0.0 113.82 -137.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.28 142.69 57.61 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.684 3.194 . . . . 0.0 117.524 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.0 p 62.87 11.54 5.09 Favored 'General case' 0 N--CA 1.53 3.55 0 C-N-CA 128.446 2.698 . . . . 0.0 112.24 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.96 -33.44 55.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 O-C-N 124.532 1.145 . . . . 0.0 111.166 -167.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 1.0 ' OE1' HG21 ' A' ' 6' ' ' VAL . 42.2 tp10 -64.02 -46.85 82.63 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.45 -47.36 85.79 Favored 'General case' 0 C--O 1.184 -2.372 0 O-C-N 120.446 -1.409 . . . . 0.0 108.823 -171.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -65.64 -39.6 91.61 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.344 -2.741 . . . . 0.0 116.172 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.89 -34.63 77.03 Favored 'General case' 0 CA--C 1.475 -1.917 0 O-C-N 125.774 1.921 . . . . 0.0 106.581 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.2 mp -50.12 -65.63 0.53 Allowed 'General case' 0 C--O 1.187 -2.23 0 CA-C-O 114.833 -2.508 . . . . 0.0 106.595 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.94 -49.93 72.16 Favored 'General case' 0 C--N 1.384 2.105 1 O-C-N 129.97 4.544 . . . . 0.0 110.447 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -83.11 -36.0 25.17 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 117.189 -1.386 . . . . 0.0 113.161 -168.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.65 -38.79 92.44 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CE2' HG13 ' A' ' 81' ' ' ILE . 46.2 t80 -54.01 -59.88 4.06 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.456 174.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -63.87 -41.79 97.67 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 126.135 2.147 . . . . 0.0 106.653 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -76.2 -39.34 54.94 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 119.418 1.008 . . . . 0.0 112.939 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -153.65 169.33 23.55 Favored 'General case' 0 C--N 1.286 -2.159 0 C-N-CA 125.904 1.682 . . . . 0.0 112.007 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' A' ' 81' ' ' ILE . 99.4 mttt -118.81 124.01 46.16 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 118.665 -2.522 . . . . 0.0 116.116 172.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HG2' ' H ' ' A' ' 34' ' ' SER . 44.9 ttp180 -176.39 165.98 2.74 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 118.396 -2.69 . . . . 0.0 112.945 -139.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.531 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 41.2 t -155.9 136.68 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 117.964 -2.96 . . . . 0.0 108.575 -148.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.809 HD12 ' ND1' ' A' ' 80' ' ' HIS . 96.5 mt -140.74 150.84 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.614 -135.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' O ' HD12 ' A' ' 5' ' ' LEU . 78.2 m-85 -113.4 136.37 52.85 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.8 t80 -107.36 123.91 49.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 41.3 t80 -107.47 97.85 7.54 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 127.862 2.465 . . . . 0.0 110.404 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -139.67 149.9 61.27 Favored Pre-proline 0 N--CA 1.441 -0.915 0 C-N-CA 126.793 2.037 . . . . 0.0 114.554 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -74.85 150.86 39.56 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 116.038 -2.174 . . . . 0.0 116.179 -119.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.7 m -62.3 -48.53 79.44 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.9 -38.68 69.9 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 111.566 -2.561 . . . . 0.0 112.579 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.05 -26.87 9.48 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 118.437 2.754 . . . . 0.0 118.437 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 57.53 34.98 25.3 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.244 2.217 . . . . 0.0 110.137 -171.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -101.23 -54.82 2.69 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.842 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 80.7 m-20 -60.71 -37.11 80.57 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 116.582 -1.675 . . . . 0.0 107.084 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.428 ' HG3' HD11 ' A' ' 76' ' ' LEU . 51.8 ttm -67.45 -43.61 80.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 120.821 1.646 . . . . 0.0 113.605 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.87 -41.34 91.33 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -38.81 92.52 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 118.242 -0.885 . . . . 0.0 113.089 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -56.58 -42.04 77.99 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.168 0.987 . . . . 0.0 112.709 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.28 -44.44 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 117.796 -1.562 . . . . 0.0 111.884 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.82 -39.44 80.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.21 -41.5 99.15 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.822 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.4 m-30 -61.83 -43.97 97.78 Favored 'General case' 0 C--O 1.16 -3.654 0 O-C-N 124.748 1.28 . . . . 0.0 110.964 -166.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.91 -37.48 78.97 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 113.33 -3.224 . . . . 0.0 110.874 175.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.23 -37.03 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 121.503 1.956 . . . . 0.0 109.825 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -107.28 152.1 24.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.85 -12.55 84.06 Favored Glycine 0 C--O 1.194 -2.381 0 C-N-CA 130.071 3.7 . . . . 0.0 116.101 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -65.43 -43.49 90.31 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 118.47 -2.782 . . . . 0.0 118.063 -164.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 6.7 t -65.3 161.34 19.72 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.91 -45.59 6.24 Favored 'General case' 0 N--CA 1.44 -0.971 0 O-C-N 120.279 -1.513 . . . . 0.0 109.862 164.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -134.88 157.58 46.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.414 -1.429 . . . . 0.0 112.6 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.831 HD13 ' OE1' ' A' ' 78' ' ' GLU . 61.8 tp -133.97 131.08 38.56 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.419 1.888 . . . . 0.0 112.987 168.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -138.83 165.78 26.14 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.105 -0.997 . . . . 0.0 112.293 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 21.4 pt-20 -68.17 165.14 18.88 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 165.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.9 t -105.34 129.84 57.54 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 CA-C-N 118.92 0.782 . . . . 0.0 111.671 156.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.476 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 82.7 mtt85 -87.38 58.7 5.11 Favored 'General case' 0 C--O 1.201 -1.482 0 C-N-CA 127.284 2.234 . . . . 0.0 115.166 165.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.607 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.5 m -108.42 22.68 4.05 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.612 0 O-C-N 119.417 -2.052 . . . . 0.0 107.476 132.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 5.0 p -66.6 -34.84 78.77 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 128.246 2.618 . . . . 0.0 111.404 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.6 p -57.58 -42.7 83.62 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 121.508 1.958 . . . . 0.0 108.854 170.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.15 -35.41 36.65 Favored 'General case' 0 C--O 1.224 -0.254 1 N-CA-C 122.383 4.216 . . . . 0.0 122.383 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -116.11 -47.14 2.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 126.071 2.107 . . . . 0.0 114.733 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 88.1 tttt 50.73 49.12 21.6 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 126.693 1.997 . . . . 0.0 110.949 -166.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.83 -10.28 8.27 Favored 'General case' 0 CA--C 1.494 -1.208 0 O-C-N 119.935 -1.728 . . . . 0.0 108.13 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 48.5 m-85 -109.74 125.25 52.48 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.593 1.187 . . . . 0.0 112.438 -164.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 47' ' ' MET . 95.2 mt -104.38 143.04 33.53 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.035 164.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 79' ' ' LEU . 38.4 t80 -111.43 105.67 14.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.134 1.445 . . . . 0.0 107.238 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.831 ' OE1' HD13 ' A' ' 63' ' ' LEU . 19.2 tp10 -98.41 144.46 27.76 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.881 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 78' ' ' GLU . 2.7 mp -130.74 120.27 23.58 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 122.386 2.357 . . . . 0.0 108.545 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.809 ' ND1' HD12 ' A' ' 35' ' ' ILE . 58.9 m80 -110.32 125.25 52.97 Favored 'General case' 0 CA--C 1.486 -1.496 0 CA-C-N 123.236 2.744 . . . . 0.0 108.624 -170.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 81' ' ' ILE . 19.9 mm 26.54 66.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -151.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 10.4 tp . . . . . 1 C--O 1.432 10.698 1 CA-C-O 111.27 -4.205 . . . . 0.0 111.209 173.185 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -104.16 118.57 36.97 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 116.275 -2.17 . . . . 0.0 116.721 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.711 ' O ' ' HG2' ' A' ' 3' ' ' MET . 49.5 ttp -113.2 3.76 16.18 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.686 3.595 . . . . 0.0 117.034 158.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.02 52.31 1.5 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 117.564 -3.21 . . . . 0.0 110.589 -157.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -139.97 155.01 47.32 Favored 'General case' 0 N--CA 1.406 -2.635 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.893 HG11 ' HB2' ' A' ' 20' ' ' GLU . 92.2 t -126.53 123.64 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 O-C-N 127.127 2.767 . . . . 0.0 111.802 165.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 38' ' ' PHE . 64.2 mt -92.7 146.8 23.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.984 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.818 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . . . -60.57 148.06 39.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.159 2.584 . . . . 0.0 111.422 164.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' A' ' 13' ' ' LYS . 85.6 tttt -62.72 -49.02 76.7 Favored 'General case' 0 C--O 1.175 -2.816 0 O-C-N 125.621 1.826 . . . . 0.0 111.844 162.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HG3' ' A' ' 40' ' ' PRO . 62.3 t-20 -65.48 -45.94 81.72 Favored 'General case' 0 C--N 1.314 -0.976 1 O-C-N 116.15 -4.094 . . . . 0.0 117.053 -140.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m -64.0 -43.87 94.36 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 125.703 1.877 . . . . 0.0 115.393 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -90.45 -50.73 5.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' A' ' 9' ' ' LYS . 98.6 mttt 55.91 56.09 6.36 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 128.676 2.791 . . . . 0.0 111.463 -174.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -117.2 78.08 1.19 Allowed 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 115.507 -2.477 . . . . 0.0 111.346 137.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 64.52 22.98 12.81 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 128.033 3.778 . . . . 0.0 117.594 153.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' HB ' ' A' ' 19' ' ' VAL . . . -69.15 -30.87 69.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 116.95 -3.594 . . . . 0.0 111.924 -178.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HG2' ' HB2' ' A' ' 9' ' ' LYS . 65.3 pttt -88.2 -9.64 52.4 Favored 'General case' 0 N--CA 1.491 1.607 1 O-C-N 116.187 -4.071 . . . . 0.0 116.372 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -60.3 -29.98 69.19 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 119.237 -2.164 . . . . 0.0 112.615 162.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 75.7 t -59.23 -38.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 126.028 1.731 . . . . 0.0 115.263 178.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HB2' HG11 ' A' ' 6' ' ' VAL . 17.4 tp10 -56.67 -48.0 78.58 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-O 124.549 2.119 . . . . 0.0 110.174 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.56 -50.32 74.33 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.972 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.4 -39.36 92.1 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.841 -1.162 . . . . 0.0 111.709 176.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -69.76 -34.86 74.38 Favored 'General case' 0 CA--C 1.47 -2.102 0 O-C-N 126.907 2.63 . . . . 0.0 113.543 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD23 ' NE2' ' A' ' 80' ' ' HIS . 57.2 mt -54.54 -51.54 64.87 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 117.425 -1.71 . . . . 0.0 111.111 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -66.18 -46.66 76.55 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 124.295 1.038 . . . . 0.0 110.011 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -74.82 -39.46 61.65 Favored 'General case' 0 CA--C 1.481 -1.698 0 C-N-CA 118.048 -1.461 . . . . 0.0 114.148 -173.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.96 -42.01 97.41 Favored 'General case' 0 CA--C 1.475 -1.91 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.1 t80 -63.07 -46.73 86.06 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 117.78 -1.568 . . . . 0.0 115.07 -172.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -65.31 -48.49 72.92 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.69 -46.39 79.21 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 118.031 -1.468 . . . . 0.0 108.2 -166.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -148.01 162.9 38.42 Favored 'General case' 0 N--CA 1.412 -2.372 0 C-N-CA 126.634 1.974 . . . . 0.0 113.141 -157.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -120.49 124.32 45.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HG2' ' N ' ' A' ' 34' ' ' SER . 38.3 ttm180 -164.79 173.18 12.06 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 125.621 1.568 . . . . 0.0 115.102 -133.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.666 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 83.4 p -154.86 163.6 40.05 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 119.053 -2.28 . . . . 0.0 114.56 172.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.538 HD11 ' OE1' ' A' ' 78' ' ' GLU . 38.7 pt -136.22 152.26 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-O 122.102 0.953 . . . . 0.0 108.991 -163.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.6 m-85 -92.91 147.81 22.54 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 120.406 -1.434 . . . . 0.0 112.034 152.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' HD1' ' HB ' ' A' ' 6' ' ' VAL . 74.2 t80 -122.27 118.04 27.59 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.922 -1.111 . . . . 0.0 110.063 175.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 7' ' ' LEU . 67.5 t80 -100.33 96.44 7.44 Favored 'General case' 0 CA--C 1.474 -1.943 0 C-N-CA 127.432 2.293 . . . . 0.0 111.095 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -133.34 142.17 43.25 Favored Pre-proline 0 CA--C 1.485 -1.522 0 CA-C-O 117.599 -1.191 . . . . 0.0 113.272 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.818 ' HD2' ' CB ' ' A' ' 8' ' ' ALA . 22.1 Cg_exo -39.57 144.98 0.27 Allowed 'Trans proline' 0 C--N 1.4 3.252 2 O-C-N 133.274 6.407 . . . . 0.0 126.569 -143.285 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.4 m -66.96 -45.58 77.32 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 117.815 -1.554 . . . . 0.0 108.941 160.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.472 ' OD1' ' HB3' ' A' ' 40' ' ' PRO . 16.3 p-10 -78.55 -13.31 59.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 -165.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -120.02 -28.53 5.12 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 159.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 m80 58.44 34.97 24.42 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 128.243 2.617 . . . . 0.0 114.337 -163.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.7 tttt -98.27 -55.01 2.89 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.702 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.0 m-20 -60.01 -36.53 77.42 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 126.655 2.472 . . . . 0.0 107.689 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.421 ' HG3' HD11 ' A' ' 76' ' ' LEU . 63.5 ttp -64.15 -45.48 88.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.87 -42.69 90.05 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 122.667 1.222 . . . . 0.0 111.673 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 97.6 mttt -66.24 -35.43 80.4 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 125.518 1.527 . . . . 0.0 112.933 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -57.27 -43.63 83.24 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 125.065 1.478 . . . . 0.0 110.508 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.01 -48.0 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 122.042 0.925 . . . . 0.0 108.569 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.05 -44.28 89.57 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.977 1.311 . . . . 0.0 111.566 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.57 -39.11 72.94 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 124.908 1.38 . . . . 0.0 109.085 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HD2' HD13 ' A' ' 63' ' ' LEU . 6.9 m-85 -79.44 -32.19 42.69 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 -152.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.04 -44.43 72.69 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.32 -42.54 86.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 119.989 -0.685 . . . . 0.0 112.228 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -100.69 145.87 27.9 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 120.525 -1.359 . . . . 0.0 111.967 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.73 4.34 70.08 Favored Glycine 0 C--O 1.193 -2.434 0 C-N-CA 127.494 2.473 . . . . 0.0 112.918 -166.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 43.2 m80 -91.7 10.54 27.86 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 117.01 -3.641 . . . . 0.0 113.485 -156.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 24' ' ' LEU . 61.7 p -111.64 -127.79 0.28 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.557 -156.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 79' ' ' LEU . . . -154.78 -49.99 0.09 Allowed 'General case' 0 CA--C 1.475 -1.921 0 O-C-N 116.428 -3.92 . . . . 0.0 104.029 142.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.951 ' HB2' HD21 ' A' ' 79' ' ' LEU . 67.7 m-85 -147.08 165.79 28.87 Favored 'General case' 0 C--N 1.351 0.636 1 O-C-N 129.587 4.304 . . . . 0.0 110.255 166.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.774 HD13 ' HD2' ' A' ' 54' ' ' PHE . 3.7 tt -132.66 144.57 50.42 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 160.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 63' ' ' LEU . 30.6 t0 -154.47 159.36 40.97 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 120.049 -1.657 . . . . 0.0 108.098 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.26 156.67 18.08 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 119.402 -2.062 . . . . 0.0 109.213 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.039 HG12 ' H ' ' A' ' 68' ' ' VAL . 59.5 t -61.01 144.84 13.27 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 O-C-N 118.188 -2.82 . . . . 0.0 112.466 136.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -87.29 66.69 9.3 Favored 'General case' 0 C--O 1.178 -2.708 1 O-C-N 114.981 -4.824 . . . . 0.0 119.988 139.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.039 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.7 m -107.69 10.21 9.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 117.563 -3.211 . . . . 0.0 106.966 123.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -64.07 -40.11 95.54 Favored 'General case' 0 C--O 1.186 -2.248 0 CA-C-O 123.203 1.477 . . . . 0.0 110.014 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.6 m -59.44 -41.21 89.1 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 119.088 -2.257 . . . . 0.0 111.308 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.38 -43.89 72.59 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 165.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -112.39 -34.15 5.97 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 119.302 3.075 . . . . 0.0 119.302 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 46.89 44.29 14.35 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 130.541 3.536 . . . . 0.0 119.09 -158.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.68 -43.35 6.84 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CE1' ' HD1' ' A' ' 38' ' ' PHE . 50.9 m-85 -109.98 109.04 19.49 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -160.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 89.7 mt -89.6 146.27 24.68 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -114.58 122.51 46.74 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.538 ' OE1' HD11 ' A' ' 35' ' ' ILE . 59.9 tt0 -119.08 130.1 55.43 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 120.875 -1.14 . . . . 0.0 111.589 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.951 HD21 ' HB2' ' A' ' 62' ' ' TYR . 2.3 pt? -111.29 130.82 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 118.744 -2.472 . . . . 0.0 107.553 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' NE2' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.84 118.61 37.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -174.302 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.964 ' O ' HG22 ' A' ' 82' ' ' ILE . 96.8 mt 59.45 -45.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.186 -2.239 0 CA-C-O 115.828 -2.035 . . . . 0.0 108.48 -171.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.195 -1.777 0 CA-C-N 125.415 3.734 . . . . 0.0 113.585 -168.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 121.586 0.708 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 62.12 34.74 16.14 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 119.332 3.086 . . . . 0.0 119.332 168.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.647 ' CE ' HH12 ' A' ' 33' ' ' ARG . 24.2 ptm -121.84 8.54 9.96 Favored 'General case' 0 C--O 1.202 -1.436 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 164.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG2' HH21 ' A' ' 33' ' ' ARG . 98.8 mttt -102.69 29.04 5.58 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 115.556 -2.164 . . . . 0.0 105.959 -155.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 pp -132.58 161.6 33.42 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.096 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.752 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -118.15 137.93 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 127.938 3.274 . . . . 0.0 105.108 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 38' ' ' PHE . 95.2 mt -112.86 147.47 36.92 Favored 'General case' 0 CA--C 1.485 -1.541 0 CA-C-N 120.455 1.479 . . . . 0.0 107.917 168.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -55.44 145.52 22.35 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.093 1.357 . . . . 0.0 110.859 170.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.22 -46.13 85.21 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.72 162.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -61.87 -48.8 78.91 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.089 1.768 . . . . 0.0 115.295 -148.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 p -77.79 -38.15 47.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' NH2' ' CZ ' ' A' ' 38' ' ' PHE . 80.3 mtt85 -106.97 -53.01 2.67 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 120.09 1.314 . . . . 0.0 108.066 -161.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 88.6 tttt 68.39 2.13 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 127.151 2.782 . . . . 0.0 108.936 156.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -62.92 -36.38 83.19 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 116.222 -1.847 . . . . 0.0 115.765 -172.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 39.9 p-10 -146.64 -10.52 0.47 Allowed 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 129.264 3.025 . . . . 0.0 115.323 158.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.72 56.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 124.235 1.969 . . . . 0.0 109.632 -123.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 65.2 pttt -68.44 145.3 54.22 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 131.197 3.799 . . . . 0.0 116.333 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.5 p 63.23 8.17 3.23 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 128.52 2.728 . . . . 0.0 112.727 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.662 HG23 HG13 ' A' ' 6' ' ' VAL . 31.6 m -69.85 -31.37 47.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.259 -171.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.752 ' OE1' HG21 ' A' ' 6' ' ' VAL . 29.4 tp10 -64.99 -42.46 94.49 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.805 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD22 ' HD2' ' A' ' 57' ' ' LYS . 92.0 mt -60.53 -47.52 85.8 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 121.506 1.957 . . . . 0.0 112.543 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.21 -41.27 98.22 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 113.604 -1.634 . . . . 0.0 111.631 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.82 -35.56 72.55 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 124.934 1.396 . . . . 0.0 112.293 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' HG3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -58.19 -53.4 58.7 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.642 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -61.13 -49.62 76.52 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.946 0.899 . . . . 0.0 108.971 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.08 -41.0 59.69 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 115.958 -1.973 . . . . 0.0 113.05 -171.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 87.6 mt-10 -57.02 -46.35 82.43 Favored 'General case' 0 CA--C 1.462 -2.437 0 CA-C-N 120.444 1.475 . . . . 0.0 110.588 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -57.7 -64.79 0.78 Allowed 'General case' 0 C--O 1.3 3.757 0 O-C-N 126.169 2.168 . . . . 0.0 109.84 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -54.13 -43.81 70.83 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 125.29 1.436 . . . . 0.0 110.7 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.19 -45.35 63.59 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 125.466 1.729 . . . . 0.0 110.159 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -154.11 162.81 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.099 1.759 . . . . 0.0 114.583 -157.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -115.92 113.57 23.48 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 120.012 3.338 . . . . 0.0 120.012 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.647 HH12 ' CE ' ' A' ' 3' ' ' MET . 16.3 ptm180 -167.49 169.72 11.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.502 1.121 . . . . 0.0 110.727 -141.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 72.1 p -137.52 156.98 47.5 Favored 'General case' 0 C--O 1.265 1.886 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.398 -160.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.542 HG21 HG23 ' A' ' 6' ' ' VAL . 75.9 mt -131.95 149.6 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 123.162 1.458 . . . . 0.0 110.99 -173.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' C ' HG22 ' A' ' 35' ' ' ILE . 33.1 m-85 -100.35 127.25 46.71 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.941 158.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -97.25 114.73 26.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.835 171.09 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.899 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -93.91 97.64 10.51 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 125.361 1.464 . . . . 0.0 109.617 172.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.763 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -136.21 147.34 60.03 Favored Pre-proline 0 C--O 1.208 -1.122 0 O-C-N 121.568 -0.708 . . . . 0.0 111.669 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.626 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 92.0 Cg_endo -61.05 150.53 83.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 117.031 1.897 . . . . 0.0 117.031 -131.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.0 m -72.27 -37.2 69.1 Favored 'General case' 0 C--O 1.205 -1.288 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 158.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.85 -43.17 84.32 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 126.257 1.823 . . . . 0.0 113.421 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.95 -22.99 13.04 Favored 'General case' 1 C--O 1.124 -5.526 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -169.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 67.9 -39.24 0.38 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 129.434 3.094 . . . . 0.0 115.336 -145.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.29 -47.89 83.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.353 1.861 . . . . 0.0 113.376 -132.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.724 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 84.1 m-20 -63.72 -37.27 86.73 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.0 ttp -64.3 -41.37 96.88 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 124.169 0.918 . . . . 0.0 108.927 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.96 -43.37 98.85 Favored 'General case' 0 C--O 1.205 -1.244 0 C-N-CA 123.73 0.812 . . . . 0.0 111.684 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -37.79 87.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.938 1.295 . . . . 0.0 111.944 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.57 90.47 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.64 -44.1 84.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 CA-C-O 124.216 1.96 . . . . 0.0 107.159 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.2 -39.78 78.43 Favored 'General case' 0 CA--C 1.475 -1.904 0 O-C-N 118.958 -2.338 . . . . 0.0 113.965 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -58.8 -40.64 84.66 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.998 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.8 m-85 -74.11 -34.21 63.85 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.64 1.21 . . . . 0.0 109.415 -162.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.07 -35.24 76.31 Favored 'General case' 0 C--O 1.204 -1.329 0 C-N-CA 127.427 2.291 . . . . 0.0 114.34 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.73 -43.39 98.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 120.639 1.563 . . . . 0.0 114.133 168.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.627 ' HD2' HD22 ' A' ' 21' ' ' LEU . 99.3 mttt -121.98 134.41 54.82 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.05 -2.65 62.51 Favored Glycine 0 C--O 1.22 -0.755 0 C-N-CA 130.607 3.956 . . . . 0.0 119.5 -159.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.555 ' HB2' HD22 ' A' ' 24' ' ' LEU . 98.2 m-70 -77.63 -38.26 48.33 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-N 123.247 3.523 . . . . 0.0 117.679 -165.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 10.0 t -69.24 151.24 46.53 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 119.002 -2.311 . . . . 0.0 111.162 -177.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.82 -38.51 18.07 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 101.066 -3.679 . . . . 0.0 101.066 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.61 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 53.9 t80 -158.67 158.6 34.08 Favored 'General case' 0 N--CA 1.412 -2.358 0 O-C-N 125.069 1.481 . . . . 0.0 111.541 -175.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.045 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -131.07 130.85 43.74 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.61 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 45.4 t0 -143.88 163.77 32.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 119.754 1.161 . . . . 0.0 111.196 174.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.19 167.54 17.64 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 118.784 -2.447 . . . . 0.0 109.897 170.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.585 HG21 ' CG2' ' A' ' 68' ' ' VAL . 33.0 m -70.29 152.98 8.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 34.1 mmt180 -92.03 57.35 3.1 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-N 120.822 1.646 . . . . 0.0 113.416 140.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.585 ' CG2' HG21 ' A' ' 66' ' ' VAL . 33.3 m -102.7 19.94 3.22 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.55 0 O-C-N 117.095 -3.503 . . . . 0.0 107.781 127.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 79.1 p -66.01 -39.57 90.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 118.589 -2.569 . . . . 0.0 111.97 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -62.01 -43.03 99.71 Favored 'General case' 0 C--O 1.17 -3.103 0 O-C-N 124.477 1.111 . . . . 0.0 109.408 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -74.29 -43.22 57.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -120.84 -53.46 2.07 Favored 'General case' 0 CA--C 1.472 -2.046 0 O-C-N 126.398 2.311 . . . . 0.0 106.487 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 17.8 tppt? 51.88 47.07 25.5 Favored 'General case' 0 C--O 1.191 -1.977 0 CA-C-O 124.17 1.938 . . . . 0.0 112.209 -171.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -102.94 -31.89 10.02 Favored 'General case' 0 N--CA 1.484 1.269 1 O-C-N 114.847 -4.908 . . . . 0.0 110.881 162.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 48.4 m-85 -112.92 126.18 55.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.092 1.425 . . . . 0.0 109.289 -147.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 84.6 mt -93.67 138.32 32.02 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.63 -2.077 . . . . 0.0 113.807 155.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.782 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.2 t80 -106.35 114.4 28.49 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.644 ' C ' HD12 ' A' ' 79' ' ' LEU . 48.0 tt0 -135.4 124.76 24.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -167.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.782 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.9 mp -118.32 137.42 53.09 Favored 'General case' 0 CA--C 1.488 -1.433 0 O-C-N 119.879 -1.763 . . . . 0.0 106.393 -160.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 77.0 m-70 -118.63 116.21 26.14 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 118.897 0.771 . . . . 0.0 111.504 -165.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.748 HG22 ' O ' ' A' ' 81' ' ' ILE . 25.7 mm 46.03 55.23 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -161.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 82' ' ' ILE . 59.1 mt . . . . . 0 C--O 1.298 3.652 0 O-C-N 117.86 -3.025 . . . . 0.0 116.996 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 C--O 1.245 0.818 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -98.6 105.5 17.65 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 103.13 -2.915 . . . . 0.0 103.13 173.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.4 mmm -125.88 32.93 5.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 131.344 3.858 . . . . 0.0 117.369 141.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.0 mttt -90.8 4.43 51.7 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 117.037 -1.865 . . . . 0.0 106.837 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -122.78 156.09 35.21 Favored 'General case' 0 CA--C 1.484 -1.569 0 C-N-CA 116.564 -2.055 . . . . 0.0 110.547 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.994 HG11 ' HB3' ' A' ' 20' ' ' GLU . 67.7 t -121.32 146.52 26.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 126.444 2.34 . . . . 0.0 108.276 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' A' ' 38' ' ' PHE . 96.8 mt -116.5 134.9 54.32 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 119.484 -2.01 . . . . 0.0 105.919 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -56.93 143.86 36.01 Favored 'General case' 0 N--CA 1.411 -2.392 0 C-N-CA 129.856 3.262 . . . . 0.0 107.384 162.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' HG3' ' HA ' ' A' ' 13' ' ' LYS . 87.7 tttt -62.09 -46.02 90.95 Favored 'General case' 0 CA--C 1.565 1.52 0 O-C-N 127.542 3.026 . . . . 0.0 111.199 165.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.03 -43.69 94.81 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 115.646 -2.422 . . . . 0.0 108.511 -136.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -62.84 -41.05 99.19 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -91.19 -50.54 5.78 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 126.516 2.385 . . . . 0.0 112.958 -171.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' HA ' ' HG3' ' A' ' 9' ' ' LYS . 98.4 mttt 52.34 48.35 22.81 Favored 'General case' 0 N--CA 1.425 -1.7 0 C-N-CA 130.594 3.558 . . . . 0.0 115.727 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.5 p -89.97 -60.69 1.86 Allowed 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 120.527 3.529 . . . . 0.0 120.527 159.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 47.1 p-10 -149.44 5.24 0.62 Allowed 'General case' 0 C--N 1.286 -2.184 0 O-C-N 116.825 -3.672 . . . . 0.0 118.483 159.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -68.92 -18.35 64.09 Favored 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 127.83 2.452 . . . . 0.0 112.931 -135.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.708 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 87.4 tttt -63.36 -34.81 78.52 Favored 'General case' 0 C--O 1.17 -3.087 0 CA-C-O 124.169 1.938 . . . . 0.0 114.659 176.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -61.41 -31.31 71.23 Favored 'General case' 0 N--CA 1.421 -1.91 0 O-C-N 119.012 -2.305 . . . . 0.0 109.224 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 94.9 t -58.43 -47.15 88.87 Favored 'Isoleucine or valine' 0 C--N 1.371 1.518 0 O-C-N 126.922 2.639 . . . . 0.0 116.387 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 1.059 ' O ' HD13 ' A' ' 24' ' ' LEU . 23.8 pt-20 -60.82 -46.35 90.89 Favored 'General case' 1 C--O 1.105 -6.525 0 CA-C-O 124.842 2.258 . . . . 0.0 111.87 179.124 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 96.5 mt -63.72 -44.28 94.07 Favored 'General case' 0 N--CA 1.487 1.407 1 O-C-N 113.567 -5.708 . . . . 0.0 107.854 -176.36 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -78.39 -33.4 48.84 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.947 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -63.4 -35.23 79.74 Favored 'General case' 0 CA--C 1.463 -2.383 0 O-C-N 120.845 -1.159 . . . . 0.0 108.787 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 20' ' ' GLU . 9.2 mp -65.27 -45.85 82.82 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 117.133 -3.479 . . . . 0.0 108.361 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.464 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 64.0 m-85 -58.96 -50.92 72.25 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -74.91 -43.78 52.36 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 116.836 -1.946 . . . . 0.0 114.348 -159.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.982 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 64.0 mt-10 -64.65 -45.12 88.1 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 126.153 2.158 . . . . 0.0 105.625 -172.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.801 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -53.15 -61.2 2.45 Favored 'General case' 1 C--O 1.31 4.289 0 C-N-CA 124.397 1.079 . . . . 0.0 110.8 177.524 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -57.94 -45.81 86.04 Favored 'General case' 0 CA--C 1.487 -1.469 0 O-C-N 126.294 2.246 . . . . 0.0 111.585 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -80.41 -41.11 25.14 Favored 'General case' 0 CA--C 1.483 -1.633 0 O-C-N 126.327 2.267 . . . . 0.0 111.94 -173.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.714 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 6.1 p30 -148.18 171.51 15.8 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.955 -1.09 . . . . 0.0 111.172 -171.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -119.64 115.81 24.71 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 171.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.982 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ptm180 -165.3 168.29 17.05 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.701 -1.249 . . . . 0.0 107.837 -137.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.924 ' CB ' HD23 ' A' ' 79' ' ' LEU . 91.1 p -127.83 161.34 29.24 Favored 'General case' 0 C--N 1.275 -2.673 0 O-C-N 119.008 -2.307 . . . . 0.0 105.436 -178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.689 HD11 ' OE1' ' A' ' 78' ' ' GLU . 31.5 pt -133.52 160.31 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 127.774 2.43 . . . . 0.0 112.995 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 26.9 m-85 -107.94 118.23 36.22 Favored 'General case' 0 CA--C 1.481 -1.71 0 C-N-CA 129.894 3.278 . . . . 0.0 106.158 168.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -97.77 126.14 42.96 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' HB2' HD23 ' A' ' 7' ' ' LEU . 93.8 m-85 -106.61 116.61 32.23 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -155.68 140.36 11.97 Favored Pre-proline 0 CA--C 1.485 -1.531 0 O-C-N 126.154 2.159 . . . . 0.0 115.305 -176.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 86.4 Cg_endo -69.14 148.96 70.27 Favored 'Trans proline' 1 CA--C 1.62 4.809 0 C-N-CA 116.51 -1.86 . . . . 0.0 116.888 -119.22 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 72' ' ' GLU . 58.6 m -63.69 -43.98 95.05 Favored 'General case' 1 C--N 1.439 4.481 0 O-C-N 125.015 1.447 . . . . 0.0 108.317 167.325 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.4 -43.93 97.66 Favored 'General case' 0 N--CA 1.503 2.213 1 C-N-CA 132.376 4.27 . . . . 0.0 118.537 -170.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.12 -20.01 12.08 Favored 'General case' 0 CA--C 1.481 -1.684 0 N-CA-C 119.581 3.178 . . . . 0.0 119.581 173.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.5 m80 54.27 39.26 30.68 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.879 0.872 . . . . 0.0 112.962 -167.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.57 -50.81 2.83 Favored 'General case' 0 CA--C 1.474 -1.956 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.5 -167.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.74 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.7 m-20 -60.69 -37.65 82.34 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 115.303 -2.559 . . . . 0.0 111.368 171.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 1.078 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.4 ttp -61.81 -43.59 98.54 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 119.107 3.003 . . . . 0.0 119.107 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.53 -40.1 93.45 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.004 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.9 mttt -63.75 -37.13 86.21 Favored 'General case' 0 C--O 1.199 -1.561 0 O-C-N 124.072 0.858 . . . . 0.0 111.941 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -59.49 -41.49 89.94 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.16 -49.13 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 99.3 m-20 -64.71 -46.89 80.38 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.312 1.445 . . . . 0.0 111.038 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HE2' ' HE3' ' A' ' 17' ' ' LYS . 23.1 m-30 -65.51 -44.65 86.32 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 115.188 -2.605 . . . . 0.0 117.512 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' HD2' HD22 ' A' ' 63' ' ' LEU . 14.9 m-30 -63.07 -33.56 75.7 Favored 'General case' 0 CA--C 1.477 -1.834 0 O-C-N 128.274 3.484 . . . . 0.0 107.206 -170.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.96 -40.63 78.8 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 98.3 mt-10 -52.75 -28.61 22.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -116.62 150.07 38.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 128.825 2.85 . . . . 0.0 115.913 176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.08 -10.7 86.03 Favored Glycine 0 CA--C 1.491 -1.414 0 O-C-N 126.295 2.247 . . . . 0.0 116.295 -171.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 99.3 m-70 -62.06 -44.79 95.92 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -170.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.438 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 11.5 t -67.01 153.27 44.07 Favored 'General case' 0 N--CA 1.408 -2.571 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.52 -48.61 5.2 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 128.854 2.862 . . . . 0.0 108.476 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -143.06 148.02 36.01 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 ' HD2' ' A' ' 54' ' ' PHE . 58.4 tp -125.65 143.96 50.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 157.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -150.47 -176.57 5.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 118.685 0.675 . . . . 0.0 109.299 168.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.01 167.37 16.95 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 116.741 -3.725 . . . . 0.0 104.329 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 94.9 t -93.05 142.02 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.566 139.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 28.3 mmt180 -84.94 19.14 2.2 Favored 'General case' 1 C--O 1.147 -4.293 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 22.2 m -82.72 2.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.97 0 O-C-N 118.466 -2.647 . . . . 0.0 104.484 146.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 98.7 p -64.68 -42.45 95.34 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 101.75 -3.426 . . . . 0.0 101.75 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -60.06 -38.85 84.03 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 124.687 1.242 . . . . 0.0 111.828 -171.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -81.98 -45.37 15.45 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 41' ' ' THR . 99.7 mt-10 -102.33 -35.72 8.72 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 126.508 2.38 . . . . 0.0 105.032 -167.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 53.92 42.49 31.68 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.844 3.257 . . . . 0.0 118.552 -154.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -94.0 -29.86 15.01 Favored 'General case' 0 N--CA 1.522 3.142 0 C-N-CA 116.555 -2.058 . . . . 0.0 113.758 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -145.7 101.04 3.51 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 118.113 -2.867 . . . . 0.0 103.898 -111.034 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.078 HD11 ' HG3' ' A' ' 47' ' ' MET . 81.1 mt -113.65 135.36 54.01 Favored 'General case' 0 CA--C 1.462 -2.414 0 O-C-N 125.516 1.76 . . . . 0.0 108.361 -164.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 63' ' ' LEU . 65.8 t80 -106.51 107.18 18.06 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.637 1.575 . . . . 0.0 108.825 -172.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.689 ' OE1' HD11 ' A' ' 35' ' ' ILE . 88.1 tt0 -116.36 139.88 49.94 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 125.847 1.659 . . . . 0.0 106.86 -174.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.034 HD13 HD12 ' A' ' 82' ' ' ILE . 21.4 mt -125.74 134.17 51.85 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 67.4 m80 -111.08 120.76 43.41 Favored 'General case' 0 CA--C 1.465 -2.309 0 C-N-CA 126.482 1.913 . . . . 0.0 113.991 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.821 HG22 ' O ' ' A' ' 81' ' ' ILE . 46.2 mm 41.43 53.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 118.98 2.956 . . . . 0.0 118.98 -166.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.034 HD12 HD13 ' A' ' 79' ' ' LEU . 20.2 tt . . . . . 0 N--CA 1.518 2.966 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 -164.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 119.358 -0.353 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -133.2 154.78 50.33 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 162.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.4 mtp -121.77 22.15 10.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 170.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 59.25 36.25 23.65 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.0 pp -135.1 161.1 36.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 160.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.767 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -125.15 120.97 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.577 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 38' ' ' PHE . 80.9 mt -93.96 145.99 24.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 123.519 1.628 . . . . 0.0 108.472 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -71.51 151.78 43.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 124.657 2.17 . . . . 0.0 112.302 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -86.18 -30.93 22.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 111.708 -2.496 . . . . 0.0 113.15 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -63.11 -45.87 89.98 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 122.704 2.502 . . . . 0.0 111.32 -167.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -68.08 -43.94 77.42 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 118.237 -1.385 . . . . 0.0 113.386 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -106.39 -25.27 11.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -156.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.37 41.33 23.2 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.6 p -103.84 -65.15 1.03 Allowed 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 121.672 2.033 . . . . 0.0 112.042 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -169.44 27.8 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.127 1.771 . . . . 0.0 111.712 167.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -71.58 -27.48 63.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 123.119 1.438 . . . . 0.0 112.571 -155.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -62.32 -46.3 89.33 Favored 'General case' 0 C--O 1.249 1.055 0 O-C-N 119.815 -1.803 . . . . 0.0 114.087 -149.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.4 p -67.22 -16.97 64.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 16' ' ' ALA . 72.2 t -61.56 -38.83 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 C-N-CA 125.467 1.507 . . . . 0.0 111.712 -155.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.767 ' OE1' HG21 ' A' ' 6' ' ' VAL . 49.9 tp10 -64.23 -41.39 97.03 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 117.48 -1.688 . . . . 0.0 111.572 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 96.0 mt -60.21 -45.11 94.29 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.445 -1.409 . . . . 0.0 111.927 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -39.33 93.45 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 115.225 -2.321 . . . . 0.0 113.601 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.3 -44.26 95.52 Favored 'General case' 0 CA--C 1.481 -1.679 0 O-C-N 125.135 1.522 . . . . 0.0 107.077 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD23 ' NE2' ' A' ' 80' ' ' HIS . 80.1 mt -54.61 -57.49 11.21 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 122.507 1.146 . . . . 0.0 109.752 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -66.59 -49.97 64.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.14 -176.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.36 -45.15 85.29 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.294 1.045 . . . . 0.0 110.176 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.903 ' OE1' HD11 ' A' ' 35' ' ' ILE . 97.1 mt-10 -74.82 -37.62 62.27 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 115.291 -2.29 . . . . 0.0 114.611 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 81' ' ' ILE . 5.4 t80 -56.56 -45.14 81.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.95 1.406 . . . . 0.0 108.596 173.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.9 p -73.59 -40.37 63.93 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.183 -1.573 . . . . 0.0 114.404 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -71.68 -40.68 69.43 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 119.914 1.233 . . . . 0.0 113.189 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.11 165.91 32.4 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 123.219 0.608 . . . . 0.0 111.779 -164.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 81' ' ' ILE . 96.1 mttt -118.42 118.48 31.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 118.278 -2.764 . . . . 0.0 114.868 168.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 11.5 ptp180 -160.68 172.38 17.2 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 120.738 -1.226 . . . . 0.0 112.321 -145.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.8 p -136.2 160.11 39.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 119.132 0.878 . . . . 0.0 111.479 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.903 HD11 ' OE1' ' A' ' 27' ' ' GLU . 95.1 mt -132.71 144.9 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 124.677 2.179 . . . . 0.0 111.585 -168.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -98.2 138.68 35.12 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 120.277 -1.514 . . . . 0.0 111.267 167.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 12.2 t80 -115.37 107.29 15.03 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 7' ' ' LEU . 4.8 t80 -90.53 101.07 13.81 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -143.6 152.94 57.67 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 172.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 66.5 Cg_endo -67.36 146.18 74.2 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.788 1.659 . . . . 0.0 110.923 -120.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.7 m -61.69 -42.71 99.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 124.174 0.921 . . . . 0.0 108.579 160.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.11 -61.65 1.95 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 117.34 -1.744 . . . . 0.0 107.788 -156.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.61 84.06 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 73' ' ' LYS . 87.3 m-70 73.2 -14.24 0.63 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.076 2.15 . . . . 0.0 116.096 -151.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.67 -47.44 69.49 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 119.159 -2.213 . . . . 0.0 116.16 -158.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 83.1 m-20 -64.57 -35.95 82.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.901 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.41 ' H ' ' HD2' ' A' ' 40' ' ' PRO . 63.7 ttp -64.86 -41.17 95.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.529 1.143 . . . . 0.0 110.812 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.19 -40.82 94.74 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.47 -36.63 83.09 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.588 173.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -56.53 -45.54 81.07 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 119.299 0.954 . . . . 0.0 111.98 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.41 -45.62 78.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.043 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.32 -44.81 86.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.81 -34.95 78.35 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.267 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.761 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.4 m-85 -75.2 -33.9 61.46 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 122.031 -0.418 . . . . 0.0 111.603 -168.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.11 -40.45 94.52 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 125.329 1.452 . . . . 0.0 111.252 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.24 -35.04 76.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.175 0.99 . . . . 0.0 112.522 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HZ2' ' HB3' ' A' ' 21' ' ' LEU . 97.1 mttt -121.01 133.31 55.26 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 117.644 -1.17 . . . . 0.0 113.26 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 4.36 68.54 Favored Glycine 0 CA--C 1.557 2.699 0 C-N-CA 130.497 3.903 . . . . 0.0 122.453 -163.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m-70 -79.64 -38.67 33.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 121.459 2.629 . . . . 0.0 117.916 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.9 t -56.68 140.35 47.47 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 120.202 -1.562 . . . . 0.0 112.396 166.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -68.14 -48.24 65.91 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.141 -0.974 . . . . 0.0 110.104 163.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -158.83 153.21 24.11 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 76' ' ' LEU . 4.8 tt -124.8 138.48 54.27 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 120.638 1.563 . . . . 0.0 113.223 164.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.617 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.9 t0 -137.01 168.55 19.38 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 163.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.545 ' HB2' HH12 ' A' ' 67' ' ' ARG . 96.4 mt-10 -70.12 172.91 7.24 Favored 'General case' 0 C--O 1.246 0.907 0 O-C-N 120.072 -1.642 . . . . 0.0 111.048 169.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 75' ' ' PHE . 34.8 m -79.35 162.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 119.06 -2.275 . . . . 0.0 112.644 148.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 65' ' ' GLU . 65.9 mmt-85 -98.76 52.32 0.99 Allowed 'General case' 0 C--O 1.206 -1.224 0 O-C-N 117.398 -3.314 . . . . 0.0 116.775 149.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -107.16 11.05 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.493 -1.38 . . . . 0.0 109.548 132.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.3 p -54.54 -42.54 71.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.1 m -65.67 -41.8 92.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.123 -161.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -76.15 -47.05 25.76 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 127.715 3.134 . . . . 0.0 113.554 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -130.07 -10.75 4.26 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 122.946 2.612 . . . . 0.0 116.98 -162.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 96.1 mttt 48.0 40.9 14.13 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -115.32 -34.11 5.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 122.707 2.503 . . . . 0.0 115.875 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 86.8 m-85 -106.45 121.39 44.17 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -171.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 63' ' ' LEU . 57.3 mt -77.83 152.76 33.28 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 156.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.74 ' CD2' HD11 ' A' ' 79' ' ' LEU . 60.8 t80 -110.74 112.38 24.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 124.837 1.255 . . . . 0.0 109.491 157.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.557 ' C ' HD12 ' A' ' 79' ' ' LEU . 42.6 tt0 -131.36 132.2 44.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 123.01 1.386 . . . . 0.0 111.29 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.96 ' CD2' HD12 ' A' ' 82' ' ' ILE . 4.4 mp -117.35 127.4 54.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 119.514 -1.991 . . . . 0.0 108.612 -158.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.629 ' NE2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -108.96 119.68 40.28 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 120.347 1.43 . . . . 0.0 108.666 -168.022 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.578 HD13 ' HE2' ' A' ' 32' ' ' LYS . 20.5 tt 32.62 61.9 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 123.188 1.471 . . . . 0.0 114.448 -164.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.96 HD12 ' CD2' ' A' ' 79' ' ' LEU . 21.2 tt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 120.695 3.591 . . . . 0.0 120.695 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 CA--C 1.477 -1.861 0 CA-C-O 117.996 -1.002 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.404 ' HE1' ' HG ' ' A' ' 5' ' ' LEU . 16.9 t-80 -97.12 111.5 23.7 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -165.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.93 -1.3 17.81 Favored 'General case' 0 CA--C 1.438 -3.343 1 CA-C-O 110.446 -4.597 . . . . 0.0 116.4 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.02 -13.7 38.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.311 2.245 . . . . 0.0 114.333 -168.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 36' ' ' PHE . 96.4 mt -76.2 165.63 24.62 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 123.725 2.966 . . . . 0.0 112.732 173.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.835 HG21 ' OE1' ' A' ' 20' ' ' GLU . 86.3 t -124.51 148.78 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 C-N-CA 128.834 2.854 . . . . 0.0 109.29 142.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 93.6 mt -107.92 146.07 32.89 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -60.89 155.58 19.41 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 127.146 2.178 . . . . 0.0 111.463 158.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HE3' ' HE2' ' A' ' 17' ' ' LYS . 76.7 tttt -62.8 -44.81 95.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 161.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -36.15 82.1 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.394 1.477 . . . . 0.0 112.005 -156.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 40' ' ' PRO . 41.8 p -101.57 -38.75 7.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 115.777 -2.369 . . . . 0.0 113.443 -173.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 14.9 mmp_? -80.17 -47.09 15.25 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 124.395 1.06 . . . . 0.0 109.076 -175.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -2.99 105.95 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -130.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -102.37 -62.66 1.24 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 143.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -138.48 18.7 2.73 Favored 'General case' 0 C--N 1.295 -1.781 1 O-C-N 113.257 -5.902 . . . . 0.0 116.545 164.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 7' ' ' LEU . . . -92.04 0.84 57.47 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 117.466 -3.271 . . . . 0.0 110.91 -139.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HE2' ' HE3' ' A' ' 9' ' ' LYS . 98.3 mttt -61.04 -40.56 94.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 128.94 2.896 . . . . 0.0 110.922 -165.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 p -103.33 3.63 35.51 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 119.425 3.121 . . . . 0.0 119.425 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.42 -40.6 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -161.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.835 ' OE1' HG21 ' A' ' 6' ' ' VAL . 37.1 tp10 -64.79 -43.75 92.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 117.756 -1.578 . . . . 0.0 109.347 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.25 -47.35 85.67 Favored 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 118.145 -1.422 . . . . 0.0 111.998 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.69 -40.07 95.97 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.75 -32.52 72.33 Favored 'General case' 0 CA--C 1.476 -1.896 0 O-C-N 124.403 1.064 . . . . 0.0 110.218 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 80' ' ' HIS . 53.9 mt -54.68 -54.38 42.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.932 0.873 . . . . 0.0 109.399 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -64.87 -47.98 75.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.157 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.52 -45.43 65.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.429 1.081 . . . . 0.0 113.276 -168.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.564 ' OE2' HD11 ' A' ' 35' ' ' ILE . 99.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 CA--C 1.479 -1.771 0 O-C-N 125.144 1.527 . . . . 0.0 111.13 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.23 -49.18 78.18 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 124.645 1.215 . . . . 0.0 111.391 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -65.61 -41.06 93.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.181 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -87.21 -42.89 12.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -170.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -132.69 159.32 39.98 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 126.982 2.113 . . . . 0.0 109.165 -163.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 97.2 mttt -106.74 129.95 54.54 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 119.136 -2.228 . . . . 0.0 110.091 157.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' SER . 15.9 ttm180 -155.64 158.69 38.74 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.157 -0.964 . . . . 0.0 111.706 -143.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.592 ' HB2' HD23 ' A' ' 79' ' ' LEU . 84.7 p -126.0 164.4 20.92 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.364 161.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.564 HD11 ' OE2' ' A' ' 27' ' ' GLU . 47.7 mm -132.3 156.48 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 125.027 1.331 . . . . 0.0 109.437 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' A' ' 5' ' ' LEU . 47.2 m-85 -117.49 129.27 55.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.377 1.871 . . . . 0.0 109.005 160.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 89.0 t80 -107.26 107.7 18.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 61.4 t80 -85.28 91.28 8.12 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 127.094 2.158 . . . . 0.0 110.035 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.535 ' CB ' ' CE2' ' A' ' 37' ' ' TYR . . . -141.25 147.06 45.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 O-C-N 119.971 -1.706 . . . . 0.0 114.168 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 72.9 Cg_endo -65.9 149.43 86.43 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 CA-C-O 118.117 -0.868 . . . . 0.0 114.121 -115.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.484 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 9.8 t -68.74 -32.0 71.47 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-O 117.375 -1.298 . . . . 0.0 111.206 166.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' THR . 94.9 m-20 -77.91 -38.52 45.42 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 129.502 3.121 . . . . 0.0 117.055 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -121.3 -9.98 9.0 Favored 'General case' 0 C--O 1.182 -2.461 0 CA-C-O 114.636 -2.602 . . . . 0.0 116.708 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 48.27 41.78 16.69 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 130.408 3.483 . . . . 0.0 106.171 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 97.1 mttt -118.0 -43.78 2.74 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.077 1.308 . . . . 0.0 108.875 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 69.4 m-20 -60.26 -39.08 85.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 117.908 -1.517 . . . . 0.0 110.19 165.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.475 ' CE ' ' HE3' ' A' ' 73' ' ' LYS . 25.4 ptm -67.49 -39.26 85.2 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 117.857 -3.027 . . . . 0.0 115.981 177.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.42 -39.52 94.01 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 119.685 1.13 . . . . 0.0 109.464 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.22 -35.36 80.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.669 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.39 -41.83 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.78 -44.13 85.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 O-C-N 124.219 0.95 . . . . 0.0 108.643 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.97 -45.43 93.69 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.47 -39.32 83.3 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.998 ' HD2' HD22 ' A' ' 63' ' ' LEU . 10.8 m-85 -74.49 -35.6 63.24 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 125.838 1.962 . . . . 0.0 107.749 -161.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.19 -46.34 74.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 128.466 2.707 . . . . 0.0 111.728 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -49.63 -38.94 34.05 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 123.047 2.658 . . . . 0.0 112.859 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 99.1 mttt -99.06 152.6 19.66 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 126.673 2.483 . . . . 0.0 114.822 176.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.86 -8.98 87.5 Favored Glycine 0 CA--C 1.527 0.789 0 O-C-N 120.731 -1.23 . . . . 0.0 113.706 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 64.1 m170 -58.16 -34.42 70.29 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -156.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -100.2 139.77 35.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.283 1.833 . . . . 0.0 113.986 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.26 81.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.412 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -163.93 164.34 23.32 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 124.272 0.982 . . . . 0.0 111.262 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.998 HD22 ' HD2' ' A' ' 54' ' ' PHE . 46.0 tp -130.17 140.51 50.75 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 163.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.34 173.85 11.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.533 -0.729 . . . . 0.0 109.502 168.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.43 166.83 20.88 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 119.641 -1.912 . . . . 0.0 112.242 165.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.849 HG12 ' H ' ' A' ' 68' ' ' VAL . 44.6 t -85.58 135.72 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 144.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.674 ' HA ' ' H ' ' A' ' 69' ' ' SER . 78.9 mtt-85 -88.25 65.22 7.97 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 118.02 -2.925 . . . . 0.0 117.326 149.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.849 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.7 m -95.14 17.5 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 128.777 2.831 . . . . 0.0 110.271 117.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.674 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 80.0 p -62.59 -40.05 95.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 120.053 -1.655 . . . . 0.0 112.032 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.4 p -63.32 -36.64 84.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 121.156 -0.965 . . . . 0.0 108.414 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -75.68 -41.5 53.67 Favored 'General case' 0 C--O 1.206 -1.198 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.89 -49.63 1.6 Allowed 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -165.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HE3' ' CE ' ' A' ' 47' ' ' MET . 50.8 tptt 65.43 15.72 10.17 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.667 2.387 . . . . 0.0 114.21 172.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 41' ' ' THR . 5.3 m-20 -71.06 -36.42 72.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 162.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -106.73 115.02 29.48 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 122.379 1.085 . . . . 0.0 113.179 -162.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 80.4 mt -84.4 150.82 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 113.49 -1.686 . . . . 0.0 109.102 158.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -130.66 131.78 45.07 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 118.847 -1.141 . . . . 0.0 113.996 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -137.14 146.41 44.97 Favored 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -152.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.125 HD13 HD12 ' A' ' 82' ' ' ILE . 78.9 mt -130.68 134.71 47.17 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 117.626 -1.63 . . . . 0.0 108.465 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.672 ' CE1' HD23 ' A' ' 24' ' ' LEU . 24.6 m170 -118.1 104.38 10.78 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.66 ' O ' HG22 ' A' ' 82' ' ' ILE . 80.8 mt 77.38 -48.89 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-O 114.404 -2.712 . . . . 0.0 108.078 -172.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.125 HD12 HD13 ' A' ' 79' ' ' LEU . 19.7 tt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 114.011 -2.899 . . . . 0.0 112.063 -165.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.199 -1.592 0 CA-C-O 120.664 0.268 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -54.36 -58.72 6.34 Favored 'General case' 0 C--N 1.374 1.656 0 CA-C-O 116.151 -1.881 . . . . 0.0 114.578 -172.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 ttp -131.3 -60.63 0.94 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 122.068 2.213 . . . . 0.0 108.236 162.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.578 ' C ' HD12 ' A' ' 5' ' ' LEU . 61.3 pttt -124.62 30.59 5.93 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.394 1.878 . . . . 0.0 114.085 -151.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.1 mp -121.65 160.75 23.78 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 117.599 -1.641 . . . . 0.0 106.764 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.0 HG23 HD11 ' A' ' 35' ' ' ILE . 80.0 t -126.62 151.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 126.772 2.029 . . . . 0.0 108.757 168.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 12' ' ' ARG . 74.4 mt -118.37 136.0 54.0 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 124.991 1.316 . . . . 0.0 107.625 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.45 142.32 46.86 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 127.397 2.279 . . . . 0.0 111.955 164.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 pttt -67.16 -27.3 67.18 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 130.759 3.623 . . . . 0.0 115.642 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -88.76 -8.77 53.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 CA-C-N 125.122 3.601 . . . . 0.0 111.85 -168.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -105.51 -66.85 0.95 Allowed 'General case' 0 C--O 1.179 -2.63 0 CA-C-N 125.489 3.768 . . . . 0.0 119.973 162.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.605 ' HD2' HD22 ' A' ' 7' ' ' LEU . 88.8 mtt180 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.376 1.727 1 N-CA-C 121.969 4.062 . . . . 0.0 121.969 168.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 96.8 mttt 54.15 45.82 26.65 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 118.655 2.835 . . . . 0.0 118.655 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 -41.83 9.3 Favored 'General case' 1 C--O 1.134 -4.985 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -158.89 47.28 0.31 Allowed 'General case' 0 C--N 1.396 2.618 0 C-N-CA 130.216 3.406 . . . . 0.0 107.026 148.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -74.06 -36.56 64.36 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 102.07 -3.307 . . . . 0.0 102.07 -150.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 9' ' ' LYS . 97.7 mttt -56.75 -41.53 77.73 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 125.16 1.537 . . . . 0.0 107.445 -118.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -77.97 -9.28 59.03 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 -172.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 HG22 ' A' ' 6' ' ' VAL . 63.6 t -66.1 -40.73 87.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -155.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB3' HG11 ' A' ' 6' ' ' VAL . 21.7 pt-20 -59.98 -44.58 94.4 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 120.399 -1.438 . . . . 0.0 111.693 174.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -44.73 90.37 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 117.546 -1.662 . . . . 0.0 107.899 -174.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -40.33 84.16 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 58.3 t0 -65.54 -38.17 88.85 Favored 'General case' 0 C--O 1.174 -2.899 0 O-C-N 125.277 1.61 . . . . 0.0 108.222 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.677 HD23 ' CD2' ' A' ' 80' ' ' HIS . 71.8 mt -57.21 -54.84 42.2 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.053 -1.654 . . . . 0.0 111.462 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -58.86 -52.76 64.34 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -75.68 -36.15 60.15 Favored 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 125.747 1.904 . . . . 0.0 111.063 -167.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.678 ' OE2' ' HB3' ' A' ' 33' ' ' ARG . 79.7 tt0 -65.09 -41.39 95.03 Favored 'General case' 0 CA--C 1.463 -2.397 0 O-C-N 120.542 -1.349 . . . . 0.0 110.177 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -56.66 -51.69 67.79 Favored 'General case' 0 N--CA 1.402 -2.863 0 O-C-N 126.671 2.482 . . . . 0.0 109.029 -179.659 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -66.49 -36.35 82.52 Favored 'General case' 0 C--N 1.39 2.343 0 N-CA-C 118.774 2.879 . . . . 0.0 118.774 -173.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.07 -45.32 58.04 Favored 'General case' 0 C--O 1.187 -2.212 0 C-N-CA 128.218 2.607 . . . . 0.0 112.118 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -158.4 163.96 36.73 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.278 -166.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -108.9 119.38 39.39 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.519 -1.988 . . . . 0.0 114.28 169.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HB3' ' OE2' ' A' ' 27' ' ' GLU . 15.0 mtt180 -167.97 169.35 11.38 Favored 'General case' 0 CA--C 1.473 -1.998 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -148.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -134.5 155.37 50.5 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 6' ' ' VAL . 13.4 tt -125.29 153.98 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 C-N-CA 126.134 1.774 . . . . 0.0 108.18 -167.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.629 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 84.5 m-85 -107.32 132.02 53.58 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 111.388 -2.642 . . . . 0.0 111.849 157.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.1 t80 -111.61 112.12 23.6 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.064 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . 51.1 t80 -88.57 98.16 11.5 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.092 1.357 . . . . 0.0 109.641 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -140.2 149.85 59.58 Favored Pre-proline 0 CA--C 1.487 -1.471 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.028 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.2 Cg_endo -69.78 156.16 64.03 Favored 'Trans proline' 0 C--O 1.194 -1.694 0 O-C-N 125.267 2.193 . . . . 0.0 112.569 -123.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.6 m -70.02 -39.62 75.69 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-O 124.434 2.064 . . . . 0.0 111.271 159.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.52 -45.26 72.71 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 130.758 3.623 . . . . 0.0 113.025 -156.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.42 -46.78 4.68 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.349 -2.205 . . . . 0.0 114.282 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.8 m80 79.73 2.39 2.15 Favored 'General case' 0 C--O 1.192 -1.938 0 C-N-CA 130.511 3.524 . . . . 0.0 115.637 -162.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.42 -53.0 49.39 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 119.918 3.303 . . . . 0.0 119.918 -171.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.755 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -63.02 -36.5 83.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 125.601 1.813 . . . . 0.0 109.676 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.591 ' HG3' HD11 ' A' ' 76' ' ' LEU . 55.6 ttm -65.71 -42.7 90.82 Favored 'General case' 0 N--CA 1.426 -1.639 0 O-C-N 123.684 0.615 . . . . 0.0 112.512 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.16 -43.44 98.26 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 119.381 -0.927 . . . . 0.0 111.208 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.96 -36.09 80.4 Favored 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.81 97.3 Favored 'General case' 0 N--CA 1.409 -2.493 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -55.49 -46.32 78.79 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.812 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -64.6 -47.35 78.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.115 1.509 . . . . 0.0 112.167 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -55.73 -37.36 68.33 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 121.855 2.116 . . . . 0.0 109.412 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.888 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.6 m-85 -73.24 -35.68 66.29 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 116.922 -1.911 . . . . 0.0 108.757 -158.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.11 -42.79 88.73 Favored 'General case' 0 C--O 1.187 -2.212 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.926 167.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.97 -25.99 64.05 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.253 -2.78 . . . . 0.0 114.459 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -118.37 149.91 40.41 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.944 2.098 . . . . 0.0 114.027 177.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.01 -12.05 83.59 Favored Glycine 0 C--N 1.396 3.899 0 N-CA-C 117.767 1.867 . . . . 0.0 117.767 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -61.3 -43.27 99.15 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.702 1.239 . . . . 0.0 113.069 -155.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 11.1 t -81.08 148.52 29.62 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.522 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -93.6 -44.85 8.0 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 109.7 175.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 79' ' ' LEU . 93.3 m-85 -135.67 158.17 45.06 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 126.112 2.132 . . . . 0.0 112.594 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' HD2' ' A' ' 54' ' ' PHE . 54.8 tp -136.49 137.08 39.97 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.776 -1.203 . . . . 0.0 112.863 164.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.48 160.55 26.34 Favored 'General case' 0 C--N 1.4 2.798 0 C-N-CA 118.484 -1.286 . . . . 0.0 109.902 168.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.42 151.83 39.93 Favored 'General case' 0 C--O 1.189 -2.13 0 O-C-N 120.46 -1.4 . . . . 0.0 113.953 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.893 HG12 ' H ' ' A' ' 68' ' ' VAL . 71.2 t -73.39 138.71 20.76 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.088 0 C-N-CA 115.415 -2.514 . . . . 0.0 109.203 150.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -84.48 60.47 6.06 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 116.505 -3.872 . . . . 0.0 112.148 156.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.893 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -97.57 0.48 10.51 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 CA-C-O 123.322 1.534 . . . . 0.0 111.289 125.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 60.0 p -60.63 -44.69 96.06 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.6 m -61.0 -41.65 96.93 Favored 'General case' 0 C--O 1.192 -1.96 0 O-C-N 120.404 -1.435 . . . . 0.0 109.558 -171.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -67.48 -40.98 85.29 Favored 'General case' 0 C--O 1.187 -2.208 0 O-C-N 126.972 2.67 . . . . 0.0 117.028 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -155.58 24.7 0.4 Allowed 'General case' 0 C--N 1.38 1.915 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 57.22 39.42 28.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 116.615 -3.803 . . . . 0.0 118.087 150.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -121.47 -54.14 1.98 Allowed 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -162.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 58.0 m-85 -103.05 122.98 45.77 Favored 'General case' 0 C--O 1.264 1.853 0 O-C-N 120.893 -1.13 . . . . 0.0 112.593 -170.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 47' ' ' MET . 92.4 mt -88.64 140.52 29.37 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 126.008 1.723 . . . . 0.0 112.261 160.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 42.2 t80 -101.57 107.42 18.68 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.558 ' OE2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -117.4 124.19 48.27 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.189 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -123.6 137.72 54.69 Favored 'General case' 0 CA--C 1.493 -1.247 0 O-C-N 117.664 -3.147 . . . . 0.0 108.807 -170.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.677 ' CD2' HD23 ' A' ' 24' ' ' LEU . 2.8 m80 -114.08 124.3 51.76 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -159.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 81' ' ' ILE . 36.5 mm 42.92 48.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 79' ' ' LEU . 9.2 tp . . . . . 1 C--O 1.125 -5.463 1 O-C-N 115.91 -4.244 . . . . 0.0 112.243 166.785 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 120.829 0.347 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -71.52 136.45 47.53 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 117.407 -1.282 . . . . 0.0 112.4 167.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.1 mtt -112.12 -55.9 2.46 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.032 3.301 . . . . 0.0 114.935 139.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' HD12 ' A' ' 5' ' ' LEU . 97.2 mttt -102.02 9.48 40.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 112.67 -2.059 . . . . 0.0 113.723 -164.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.907 HD23 ' HE1' ' A' ' 38' ' ' PHE . 5.6 mp -135.85 152.41 51.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 122.324 2.329 . . . . 0.0 105.613 -166.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.898 HG11 ' HB2' ' A' ' 20' ' ' GLU . 79.5 t -131.82 125.11 54.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-O 122.53 1.157 . . . . 0.0 110.132 -175.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.589 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.4 mt -97.88 149.29 22.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 119.054 -2.279 . . . . 0.0 108.536 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.84 145.27 45.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.552 2.741 . . . . 0.0 114.737 167.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.43 -21.09 33.04 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 117.143 -1.823 . . . . 0.0 114.217 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 84.9 m-20 -64.75 -40.85 95.99 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -164.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -73.61 -43.98 58.26 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 120.06 -1.65 . . . . 0.0 115.187 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NE ' HD13 ' A' ' 7' ' ' LEU . 83.2 mtt85 -99.98 -27.0 13.8 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 124.691 1.244 . . . . 0.0 113.3 -169.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 55.86 43.96 26.7 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 127.657 2.383 . . . . 0.0 114.908 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 t -98.98 -99.52 0.22 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 38.1 p-10 -127.97 9.96 6.39 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 171.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.77 91.23 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 119.175 0.898 . . . . 0.0 110.956 -137.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.36 -34.7 77.2 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -61.37 -16.07 42.66 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.882 1.674 . . . . 0.0 115.066 -174.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.1 -40.8 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 C-N-CA 129.867 3.267 . . . . 0.0 111.509 -172.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.898 ' HB2' HG11 ' A' ' 6' ' ' VAL . 46.0 tp10 -61.37 -45.44 94.38 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 ' HE3' ' A' ' 57' ' ' LYS . 96.2 mt -60.26 -50.63 72.89 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.372 -177.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.35 -40.25 95.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.258 -1.526 . . . . 0.0 114.43 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -33.27 71.71 Favored 'General case' 0 CA--C 1.468 -2.186 0 O-C-N 123.493 0.496 . . . . 0.0 110.946 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' ' 20' ' ' GLU . 4.5 mp -49.48 -60.29 2.98 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.16 0.505 . . . . 0.0 110.293 174.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 57' ' ' LYS . 56.9 m-85 -63.71 -48.44 77.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.604 -172.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -73.04 -41.4 64.23 Favored 'General case' 0 N--CA 1.401 -2.879 0 O-C-N 125.789 1.931 . . . . 0.0 113.116 -169.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.02 -45.24 93.42 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 124.392 1.077 . . . . 0.0 111.949 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 81' ' ' ILE . 41.3 t80 -62.26 -47.87 82.41 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 128.761 2.824 . . . . 0.0 112.87 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.1 p -67.05 -44.4 80.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 121.453 -0.78 . . . . 0.0 112.619 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.52 -31.14 20.09 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 124.658 1.224 . . . . 0.0 112.234 -168.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.4 164.87 33.73 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 119.608 1.095 . . . . 0.0 113.609 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE2' HD13 ' A' ' 81' ' ' ILE . 97.4 mttt -107.29 116.08 31.31 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 117.657 -3.152 . . . . 0.0 115.776 163.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 34' ' ' SER . 39.7 ttm180 -162.44 172.83 14.92 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 118.583 -2.573 . . . . 0.0 106.633 -142.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.876 ' HB2' HD23 ' A' ' 79' ' ' LEU . 90.5 p -149.5 154.8 39.34 Favored 'General case' 0 CA--C 1.483 -1.601 0 O-C-N 120.395 -1.44 . . . . 0.0 111.678 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.577 HD11 ' OE2' ' A' ' 20' ' ' GLU . 29.0 pt -136.09 168.13 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 O-C-N 125.674 1.858 . . . . 0.0 112.102 -169.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 29.5 m-85 -116.97 143.75 45.36 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 125.03 1.332 . . . . 0.0 108.413 168.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.697 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 5.4 t80 -114.57 118.51 33.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 118.862 -2.399 . . . . 0.0 104.623 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.907 ' HE1' HD23 ' A' ' 5' ' ' LEU . 87.6 m-85 -105.31 95.94 6.17 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -133.55 146.31 59.98 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 129.279 3.032 . . . . 0.0 117.278 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 91.0 Cg_exo -67.01 153.32 78.28 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 115.833 -2.312 . . . . 0.0 115.838 -121.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 92.9 m -65.89 -42.51 90.18 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 123.573 1.654 . . . . 0.0 112.56 163.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -70.26 -41.08 73.94 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 129.028 2.931 . . . . 0.0 116.756 -167.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -104.09 -34.06 8.55 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 171.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 85.0 m-70 61.42 36.5 17.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 118.147 2.647 . . . . 0.0 118.147 -165.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -113.36 -53.46 2.7 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.134 -160.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 82.7 m-20 -60.2 -36.52 77.85 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.584 1.803 . . . . 0.0 106.64 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.551 ' HG2' HD11 ' A' ' 76' ' ' LEU . 12.3 tmm? -66.3 -44.4 83.6 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.68 -40.33 83.27 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 122.045 0.926 . . . . 0.0 110.45 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.8 mttt -64.34 -36.9 85.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.697 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -55.03 -46.22 75.26 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.416 1.487 . . . . 0.0 112.532 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.27 -47.43 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -67.27 -46.25 74.24 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 19.0 m-30 -60.27 -40.14 89.31 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.575 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CD2' HD12 ' A' ' 63' ' ' LEU . 6.8 m-30 -75.73 -36.27 59.98 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 100.66 -3.83 . . . . 0.0 100.66 -155.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -45.74 84.72 Favored 'General case' 0 C--O 1.191 -1.991 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.436 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.6 -52.8 63.92 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 114.709 -2.567 . . . . 0.0 109.715 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.661 ' HE3' HD22 ' A' ' 21' ' ' LEU . 73.2 mmtt -54.12 -49.69 68.58 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -170.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.5 -30.84 8.67 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 126.131 1.824 . . . . 0.0 117.39 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -71.85 -40.8 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 119.205 3.039 . . . . 0.0 119.205 -167.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.626 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.8 t -61.65 153.77 27.07 Favored 'General case' 0 CA--C 1.481 -1.705 0 O-C-N 119.185 -2.197 . . . . 0.0 106.164 168.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -95.47 -37.55 10.86 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.452 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.4 t80 -160.55 157.33 27.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 127.087 2.742 . . . . 0.0 116.816 -173.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 54' ' ' PHE . 3.0 tt -140.08 140.65 36.14 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.495 -1.378 . . . . 0.0 113.192 168.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.567 ' N ' HD23 ' A' ' 63' ' ' LEU . 8.7 t0 -142.24 176.39 9.01 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.555 1.942 . . . . 0.0 108.192 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.28 167.62 14.65 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 121.176 0.512 . . . . 0.0 110.768 173.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 91.6 t -104.77 146.57 11.83 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 O-C-N 120.929 -1.107 . . . . 0.0 108.904 164.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -91.56 59.43 3.79 Favored 'General case' 0 C--O 1.2 -1.502 0 O-C-N 119.267 -2.146 . . . . 0.0 107.32 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.82 3.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 117.814 -3.054 . . . . 0.0 110.512 124.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 58.8 m -62.57 -39.43 93.67 Favored 'General case' 0 C--O 1.205 -1.24 0 C-N-CA 124.922 1.289 . . . . 0.0 110.577 177.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.7 m -58.67 -45.43 89.41 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-O 117.071 -1.442 . . . . 0.0 108.741 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.19 -46.86 69.52 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 126.584 1.954 . . . . 0.0 115.92 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -126.1 -8.83 6.52 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 118.633 0.652 . . . . 0.0 112.427 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 23.7 tptm -7.16 115.62 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.096 0 O-C-N 118.911 -2.368 . . . . 0.0 116.347 -147.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -131.1 7.3 4.64 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 127.233 2.213 . . . . 0.0 114.36 131.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -109.93 104.88 13.86 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.465 0.65 . . . . 0.0 109.736 -145.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 47' ' ' MET . 96.4 mt -110.5 142.01 42.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.743 0.817 . . . . 0.0 112.75 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 64.1 t80 -113.11 104.49 12.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 128.743 2.817 . . . . 0.0 106.032 -171.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 88.6 tt0 -118.03 138.51 52.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -175.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.957 ' CD1' HD12 ' A' ' 82' ' ' ILE . 97.4 mt -122.96 128.12 49.8 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.678 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 94.5 m-70 -108.09 122.0 45.99 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 120.15 1.341 . . . . 0.0 110.665 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.589 HD13 ' HE2' ' A' ' 32' ' ' LYS . 19.9 tt 27.04 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -157.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.957 HD12 ' CD1' ' A' ' 79' ' ' LEU . 19.3 tt . . . . . 0 C--O 1.176 -2.798 1 N-CA-C 121.894 4.035 . . . . 0.0 121.894 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 117.307 -1.33 . . . . 0.0 114.245 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.0 m80 55.87 37.86 29.35 Favored 'General case' 0 N--CA 1.474 0.772 1 C-N-CA 133.905 4.882 . . . . 0.0 120.612 -170.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mtp -126.98 28.06 5.86 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 128.142 2.577 . . . . 0.0 115.836 161.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.1 mttt -105.94 33.85 3.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.794 2.437 . . . . 0.0 108.663 -170.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -130.16 167.8 17.81 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 118.692 -1.203 . . . . 0.0 109.616 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.938 HG21 ' OE1' ' A' ' 20' ' ' GLU . 73.1 t -126.59 112.21 28.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 127.874 3.234 . . . . 0.0 113.989 170.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 38' ' ' PHE . 57.3 mt -79.92 140.7 36.59 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.319 -0.863 . . . . 0.0 111.22 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -62.64 136.88 58.1 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 128.711 2.804 . . . . 0.0 111.415 167.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HE3' ' HD3' ' A' ' 17' ' ' LYS . 88.4 tttt -59.52 -43.82 93.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.153 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -60.52 -43.09 97.5 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 131.268 3.827 . . . . 0.0 111.846 -155.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p -108.3 -25.34 11.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 117.711 -3.118 . . . . 0.0 112.773 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -101.66 -36.45 8.73 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 123.758 2.981 . . . . 0.0 113.816 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 45.02 55.4 6.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 115.574 -2.155 . . . . 0.0 114.206 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -102.92 -51.54 3.25 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 114.241 -2.983 . . . . 0.0 118.321 167.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -147.17 14.0 1.12 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.192 2.597 . . . . 0.0 113.741 160.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -62.05 -40.32 95.36 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 119.894 -1.754 . . . . 0.0 106.808 -150.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HD3' ' HE3' ' A' ' 9' ' ' LYS . 65.3 pttt -60.15 150.43 29.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -154.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.6 m 66.81 4.43 3.46 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 129.743 3.217 . . . . 0.0 115.19 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 6' ' ' VAL . 13.9 p -62.92 -36.9 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 C-N-CA 127.799 2.44 . . . . 0.0 112.31 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.938 ' OE1' HG21 ' A' ' 6' ' ' VAL . 52.5 tp10 -63.06 -44.38 95.99 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 116.958 -1.897 . . . . 0.0 110.12 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 57' ' ' LYS . 91.9 mt -62.83 -45.43 92.64 Favored 'General case' 0 N--CA 1.426 -1.625 0 C-N-CA 117.224 -1.79 . . . . 0.0 112.414 -171.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.49 -37.35 86.54 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.805 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.2 -36.36 83.94 Favored 'General case' 0 CA--C 1.479 -1.775 0 O-C-N 125.914 2.009 . . . . 0.0 110.03 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 50.7 mt -57.37 -56.5 21.08 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.52 0.6 . . . . 0.0 110.516 -176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HD2' ' NE2' ' A' ' 59' ' ' HIS . 60.4 t80 -63.93 -45.73 87.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.82 -41.34 44.7 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 117.433 -1.707 . . . . 0.0 111.342 -166.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.267 93.9 mt-10 -56.97 -46.83 81.91 Favored 'General case' 0 CA--C 1.45 -2.882 0 C-N-CA 124.042 0.937 . . . . 0.0 111.248 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 81' ' ' ILE . 3.1 t80 -56.43 -52.76 63.47 Favored 'General case' 0 N--CA 1.415 -2.208 0 O-C-N 126.684 2.49 . . . . 0.0 110.802 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.0 p -64.81 -47.89 76.38 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 114.674 -1.148 . . . . 0.0 113.175 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -75.51 -47.54 26.53 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -133.61 154.87 50.55 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -158.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -103.2 124.18 48.13 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.24 -2.314 . . . . 0.0 112.973 163.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HG2' ' H ' ' A' ' 34' ' ' SER . 67.7 ttt180 -167.2 176.21 6.92 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 123.056 2.662 . . . . 0.0 116.953 -141.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' HD23 ' A' ' 79' ' ' LEU . 95.0 p -158.86 146.66 17.86 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 117.182 -3.449 . . . . 0.0 110.643 -168.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.588 HG13 ' HB3' ' A' ' 78' ' ' GLU . 48.0 pt -135.54 165.12 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 124.091 1.9 . . . . 0.0 115.871 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 75.0 m-85 -106.35 138.87 41.75 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.212 1.805 . . . . 0.0 110.588 161.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 1.4 t80 -117.34 118.43 32.21 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.16 -1.588 . . . . 0.0 109.353 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.3 t80 -113.75 86.14 2.34 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 -145.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -148.31 128.6 6.74 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 113.822 -1.536 . . . . 0.0 113.274 -146.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 98.3 Cg_endo -63.59 142.53 84.42 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 O-C-N 122.916 0.956 . . . . 0.0 111.749 -118.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 80.1 m -67.94 -40.74 83.22 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 122.216 1.008 . . . . 0.0 110.613 168.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.01 -39.76 72.19 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.931 3.692 . . . . 0.0 117.027 -170.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.97 -23.58 10.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 165.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 39.8 m80 66.72 13.56 9.41 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 119.982 1.264 . . . . 0.0 110.759 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.1 tttt -85.72 -50.68 6.99 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 127.328 2.251 . . . . 0.0 111.769 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 70.6 m-20 -65.03 -35.7 82.02 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 125.948 2.03 . . . . 0.0 108.465 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 ttm -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 118.912 -2.367 . . . . 0.0 115.779 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 44' ' ' HIS . 82.0 mt -60.43 -39.45 87.5 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 123.02 1.391 . . . . 0.0 107.92 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 99.3 mttt -62.39 -40.47 96.57 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.321 -0.862 . . . . 0.0 111.237 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.37 85.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.529 1.131 . . . . 0.0 114.022 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.69 -43.03 82.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -43.16 92.19 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.86 -39.03 83.82 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.049 ' HD2' HD22 ' A' ' 63' ' ' LEU . 7.6 m-85 -69.8 -32.74 71.37 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.953 2.033 . . . . 0.0 107.158 -160.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.99 -36.07 62.01 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 112.416 -3.659 . . . . 0.0 116.537 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.21 -35.01 74.46 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 122.754 2.525 . . . . 0.0 109.826 172.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.2 mmtt -98.39 148.17 23.96 Favored 'General case' 0 C--O 1.184 -2.387 0 CA-C-O 112.795 -3.479 . . . . 0.0 112.761 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.11 4.69 74.79 Favored Glycine 0 C--O 1.206 -1.644 0 C-N-CA 128.699 3.047 . . . . 0.0 118.099 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 54.5 m80 -97.96 15.04 25.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 121.519 2.659 . . . . 0.0 116.544 -154.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -99.1 -140.79 0.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.058 1.743 . . . . 0.0 107.358 -156.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' LEU . . . -139.19 -62.94 0.53 Allowed 'General case' 0 C--N 1.295 -1.798 1 N-CA-C 99.792 -4.151 . . . . 0.0 99.792 132.121 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -129.8 152.75 48.96 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -164.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.049 HD22 ' HD2' ' A' ' 54' ' ' PHE . 53.6 tp -122.9 137.25 55.0 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.744 1.618 . . . . 0.0 114.071 161.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -143.01 173.14 11.81 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 119.711 -1.868 . . . . 0.0 111.08 169.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -77.54 160.08 28.86 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 117.596 -3.19 . . . . 0.0 115.614 164.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 68' ' ' VAL . 18.4 m -77.1 164.33 3.54 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 150.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.535 ' NH2' ' OG ' ' A' ' 69' ' ' SER . 11.9 mmp_? -97.92 8.45 44.72 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 164.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 66' ' ' VAL . 20.0 m -76.64 1.11 2.11 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.733 0 CA-C-N 124.171 3.169 . . . . 0.0 107.784 151.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.535 ' OG ' ' NH2' ' A' ' 67' ' ' ARG . 88.3 p -64.18 -38.6 91.64 Favored 'General case' 0 C--O 1.207 -1.148 0 O-C-N 120.684 -1.26 . . . . 0.0 111.968 177.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -62.67 -37.87 88.1 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 117.868 -1.533 . . . . 0.0 107.532 -173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -81.23 -54.4 5.53 Favored 'General case' 0 C--O 1.173 -2.937 0 O-C-N 126.065 2.103 . . . . 0.0 111.747 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 99.8 mt-10 -123.62 -20.06 5.63 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 117.559 -3.213 . . . . 0.0 111.22 -164.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' H ' ' HA ' ' A' ' 69' ' ' SER . 98.6 mttt 73.09 17.28 4.13 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 161.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 -33.25 11.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.637 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 96.9 m-85 -111.01 123.46 50.23 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 119.559 1.072 . . . . 0.0 113.165 -171.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.7 mt -82.46 136.92 34.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.125 2.17 . . . . 0.0 109.556 152.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 79' ' ' LEU . 50.0 t80 -100.93 104.36 15.55 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.588 ' HB3' HG13 ' A' ' 35' ' ' ILE . 89.1 tt0 -111.97 128.73 56.25 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.717 -173.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.09 HD13 ' CD1' ' A' ' 82' ' ' ILE . 91.4 mt -117.43 129.96 56.17 Favored 'General case' 0 CA--C 1.474 -1.947 0 O-C-N 119.879 -1.763 . . . . 0.0 113.161 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -109.94 125.51 52.92 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 81' ' ' ILE . 94.3 mt 53.7 44.28 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.692 0.62 . . . . 0.0 112.072 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.09 ' CD1' HD13 ' A' ' 79' ' ' LEU . 20.6 tt . . . . . 0 CA--C 1.572 1.821 1 CA-C-O 110.462 -4.59 . . . . 0.0 115.076 -169.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 CA--C 1.49 -1.341 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -112.33 123.42 50.24 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 117.356 -1.737 . . . . 0.0 108.248 165.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.451 ' SD ' HD23 ' A' ' 5' ' ' LEU . 25.9 ptm -133.05 24.38 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 112.293 -2.231 . . . . 0.0 115.932 158.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HB3' HG22 ' A' ' 35' ' ' ILE . 74.7 mmtt 59.13 53.19 5.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 -163.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -127.68 166.45 18.09 Favored 'General case' 0 CA--C 1.474 -1.979 0 CA-C-O 114.375 -2.726 . . . . 0.0 109.098 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.0 t -122.53 124.03 69.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 128.339 3.524 . . . . 0.0 111.257 169.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.608 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 90.8 mt -96.92 143.2 28.02 Favored 'General case' 0 C--O 1.191 -1.991 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 -174.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.92 139.24 58.06 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.253 3.021 . . . . 0.0 116.446 161.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . 87.8 tttt -63.41 -44.27 95.13 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 170.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -64.41 -44.25 91.83 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.186 -164.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -65.95 -43.38 88.12 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 116.268 -2.173 . . . . 0.0 112.685 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.602 ' NH2' ' HB2' ' A' ' 16' ' ' ALA . 59.1 ttp85 -104.85 -34.98 7.89 Favored 'General case' 0 C--O 1.207 -1.155 0 N-CA-C 117.797 2.518 . . . . 0.0 117.797 -161.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.83 45.38 21.69 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 126.924 2.09 . . . . 0.0 112.757 167.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p -91.55 -81.96 0.31 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 117.472 -1.691 . . . . 0.0 115.076 163.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -130.87 2.35 4.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.524 1.929 . . . . 0.0 115.74 165.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -58.56 -37.48 75.81 Favored 'General case' 0 C--O 1.204 -1.321 0 O-C-N 120.177 -1.577 . . . . 0.0 107.123 -138.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 9' ' ' LYS 0.292 45.1 tttp -75.71 55.57 0.86 Allowed 'General case' 0 CA--C 1.468 -2.21 0 CA-C-O 114.342 -2.742 . . . . 0.0 116.582 -165.574 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.9 p -122.95 -23.38 5.01 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 129.987 3.315 . . . . 0.0 118.689 150.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.05 -37.08 78.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 127.142 2.177 . . . . 0.0 114.927 -148.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 14.8 pt-20 -57.07 -45.12 83.53 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.267 -0.878 . . . . 0.0 112.032 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.8 mt -66.11 -47.13 75.17 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HG2' ' CD2' ' A' ' 26' ' ' HIS . 87.1 tt0 -65.33 -38.73 91.03 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 126.185 1.794 . . . . 0.0 114.799 174.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -67.58 -36.7 81.4 Favored 'General case' 0 CA--C 1.491 -1.327 0 O-C-N 124.43 1.081 . . . . 0.0 109.802 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 80' ' ' HIS . 77.0 mt -55.83 -57.01 13.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.999 0.818 . . . . 0.0 110.194 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.7 -46.93 88.48 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CD2' ' HG2' ' A' ' 22' ' ' GLU . 4.9 m-70 -69.78 -46.76 65.04 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -172.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -60.8 -45.69 93.41 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 113.451 -1.704 . . . . 0.0 107.733 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.16 -40.08 86.6 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 116.79 -1.964 . . . . 0.0 111.37 -174.494 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.3 p -64.14 -42.56 96.75 Favored 'General case' 0 N--CA 1.434 -1.246 0 O-C-N 120.41 -1.431 . . . . 0.0 113.853 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.0 -39.98 19.0 Favored 'General case' 0 N--CA 1.418 -2.038 0 O-C-N 126.713 2.508 . . . . 0.0 113.576 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -141.64 160.82 39.37 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.817 1.247 . . . . 0.0 113.813 -167.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -115.59 113.57 23.76 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 118.26 -2.775 . . . . 0.0 118.464 163.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 3.5 mmp_? -160.45 177.55 10.45 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 119.702 -1.873 . . . . 0.0 107.495 -135.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.859 ' HB2' HD23 ' A' ' 79' ' ' LEU . 88.5 p -158.43 158.94 35.13 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 119.482 -2.012 . . . . 0.0 108.848 -174.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.814 ' CD1' ' HE1' ' A' ' 37' ' ' TYR . 38.6 pt -140.69 169.9 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-O 123.515 1.626 . . . . 0.0 110.297 -165.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HB3' ' HD1' ' A' ' 75' ' ' PHE . 31.2 m-85 -117.34 133.53 55.87 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 127.208 2.203 . . . . 0.0 105.813 173.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.814 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 4.9 m-85 -102.4 131.23 49.19 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 118.259 -1.376 . . . . 0.0 108.133 166.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 7' ' ' LEU . 56.3 t80 -109.08 101.87 10.9 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.21 152.29 64.07 Favored Pre-proline 0 CA--C 1.484 -1.593 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.1 Cg_endo -63.54 145.6 92.03 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 O-C-N 124.536 1.808 . . . . 0.0 113.344 -128.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 m -68.03 -44.1 77.25 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 116.589 -2.044 . . . . 0.0 111.39 157.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.85 -43.75 71.27 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -164.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.53 -36.71 10.68 Favored 'General case' 0 C--O 1.2 -1.507 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.717 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.6 m80 57.73 39.57 27.11 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 127.301 2.24 . . . . 0.0 109.524 -168.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.309 85.2 tttt -94.52 -55.33 3.19 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 118.702 2.853 . . . . 0.0 118.702 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 94.3 m-20 -61.83 -35.33 77.93 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.322 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 76' ' ' LEU . 57.2 ttm -65.12 -41.46 94.85 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.68 -42.61 83.98 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.397 1.57 . . . . 0.0 109.646 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.7 mttt -63.55 -38.41 91.01 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.722 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -57.04 -43.0 81.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 126.069 2.106 . . . . 0.0 113.676 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.91 -45.44 87.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 125.918 1.687 . . . . 0.0 109.3 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.92 -43.75 91.78 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 125.344 1.458 . . . . 0.0 113.606 173.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 20.9 m-30 -62.84 -37.37 86.55 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 118.377 -0.82 . . . . 0.0 111.214 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.04 ' CD2' HD22 ' A' ' 63' ' ' LEU . 16.8 m-85 -69.0 -40.07 78.96 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -165.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.62 -38.17 77.11 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.871 1.668 . . . . 0.0 114.603 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.53 -38.83 78.59 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.005 0.815 . . . . 0.0 109.628 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.705 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -116.28 142.17 47.19 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 5.1 77.85 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 125.696 1.617 . . . . 0.0 116.217 -157.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 69.4 m80 -104.28 22.48 14.74 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 114.799 -2.524 . . . . 0.0 112.829 -136.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -119.91 -136.49 0.33 Allowed 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 127.567 2.347 . . . . 0.0 108.131 -150.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 62' ' ' TYR . . . -145.57 -59.36 0.33 Allowed 'General case' 0 C--N 1.292 -1.926 0 O-C-N 116.454 -3.903 . . . . 0.0 100.918 141.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 87.2 m-85 -146.0 151.82 38.38 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 127.827 3.204 . . . . 0.0 116.237 -169.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 54' ' ' PHE . 53.7 tp -126.18 130.17 50.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.848 -1.782 . . . . 0.0 111.369 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -136.76 167.67 21.0 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 122.471 1.129 . . . . 0.0 113.748 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.69 166.54 17.13 Favored 'General case' 0 N--CA 1.438 -1.028 0 O-C-N 118.529 -2.607 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.713 ' O ' ' HB2' ' A' ' 69' ' ' SER . 88.2 t -87.01 145.55 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.959 0 C-N-CA 116.017 -2.273 . . . . 0.0 112.53 143.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -85.33 63.81 8.3 Favored 'General case' 0 C--O 1.198 -1.638 2 O-C-N 113.918 -5.489 . . . . 0.0 115.322 154.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.543 ' H ' HG12 ' A' ' 66' ' ' VAL . 26.8 m -109.64 11.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 117.529 -3.232 . . . . 0.0 108.5 138.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.713 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 70.1 m -121.4 13.57 11.05 Favored 'General case' 0 C--O 1.2 -1.509 0 C-N-CA 128.412 2.685 . . . . 0.0 109.996 -152.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -67.36 -60.01 2.94 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 123.09 1.424 . . . . 0.0 109.813 127.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.56 -42.24 87.41 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 127.23 2.212 . . . . 0.0 115.459 -157.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -130.57 -19.73 3.0 Favored 'General case' 0 C--O 1.211 -0.957 0 O-C-N 125.001 1.438 . . . . 0.0 112.518 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' H ' ' HA ' ' A' ' 69' ' ' SER . 98.5 mttt 56.51 41.06 29.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 170.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.45 -34.51 7.79 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 58.9 m-85 -114.13 133.22 55.71 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 118.617 -1.233 . . . . 0.0 111.009 -161.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 47' ' ' MET . 91.5 mt -106.84 134.28 50.23 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 127.058 2.143 . . . . 0.0 109.897 168.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.697 ' CE2' HD21 ' A' ' 79' ' ' LEU . 67.4 t80 -107.14 109.99 21.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 127.114 2.166 . . . . 0.0 109.339 -167.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 57.8 tt0 -133.76 118.9 18.6 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 109.965 -154.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 34' ' ' SER . 64.3 mt -119.17 131.53 55.87 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -162.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.684 ' CE1' HD23 ' A' ' 24' ' ' LEU . 12.6 m170 -110.97 122.16 47.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.5 mt 61.62 -41.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 125.037 1.335 . . . . 0.0 107.772 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.8 mt . . . . . 0 CA--C 1.578 2.044 1 O-C-N 112.102 -6.623 . . . . 0.0 110.372 -158.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HE3' ' HD2' ' A' ' 33' ' ' ARG . 74.1 mmtt . . . . . 0 N--CA 1.444 -0.759 0 N-CA-C 119.037 2.977 . . . . 0.0 119.037 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 pp -137.01 155.24 49.95 Favored 'General case' 0 CA--C 1.468 -2.199 0 C-N-CA 115.427 -2.509 . . . . 0.0 113.357 -170.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.715 HG13 ' CG1' ' A' ' 19' ' ' VAL . 57.7 t -112.31 133.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 127.292 2.87 . . . . 0.0 103.588 -173.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.9 mt -115.39 138.92 50.48 Favored 'General case' 0 C--O 1.16 -3.641 0 CA-C-N 122.105 2.229 . . . . 0.0 107.461 173.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -64.47 143.41 57.93 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 127.5 2.32 . . . . 0.0 112.868 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.935 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -81.03 -20.22 42.19 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 177.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -62.02 -40.26 95.08 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 121.139 1.791 . . . . 0.0 110.414 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 CA--C 1.49 -1.351 0 O-C-N 118.384 -2.698 . . . . 0.0 105.884 -167.147 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.715 ' CG1' HG13 ' A' ' 6' ' ' VAL . 7.1 p -62.79 -34.4 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 O-C-N 126.562 2.414 . . . . 0.0 114.558 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.893 ' O ' HD13 ' A' ' 24' ' ' LEU . 15.1 pm0 -62.52 -38.53 90.31 Favored 'General case' 0 C--O 1.199 -1.559 0 O-C-N 119.239 -2.163 . . . . 0.0 106.218 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 89.6 mt -66.61 -44.27 82.56 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 118.36 -2.713 . . . . 0.0 107.291 -164.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.59 -42.19 98.3 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.91 -36.94 82.81 Favored 'General case' 0 CA--C 1.467 -2.24 0 C-N-CA 115.889 -2.324 . . . . 0.0 107.842 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 20' ' ' GLU . 10.9 mp -55.58 -63.66 1.1 Allowed 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 123.559 0.744 . . . . 0.0 112.049 -175.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -59.6 -46.34 89.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -78.48 -39.82 37.21 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 125.619 1.824 . . . . 0.0 114.218 -165.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.53 -42.93 97.5 Favored 'General case' 0 CA--C 1.467 -2.224 0 C-N-CA 126.888 2.075 . . . . 0.0 108.709 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.93 -57.07 13.15 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 127.197 2.199 . . . . 0.0 112.287 178.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -61.4 -46.44 90.14 Favored 'General case' 0 CA--C 1.469 -2.144 0 O-C-N 125.542 1.776 . . . . 0.0 108.883 -172.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -71.57 -45.76 61.34 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 127.286 2.866 . . . . 0.0 115.422 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -151.86 152.59 32.8 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 119.691 -1.88 . . . . 0.0 114.811 -166.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HG2' HG21 ' A' ' 81' ' ' ILE . 98.3 mttt -93.73 107.52 19.39 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 117.188 -3.445 . . . . 0.0 113.591 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.8 ' HG3' ' H ' ' A' ' 34' ' ' SER . 24.7 tpp180 -170.07 -178.66 2.92 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 117.591 -3.193 . . . . 0.0 105.974 -135.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.8 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t -166.63 160.99 15.55 Favored 'General case' 0 C--N 1.266 -3.046 1 O-C-N 115.712 -4.367 . . . . 0.0 100.959 -155.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.461 HG13 ' HB3' ' A' ' 78' ' ' GLU . 47.4 pt -146.68 171.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 39.3 m-85 -124.1 118.7 27.5 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 1.1 t80 -88.55 114.88 25.62 Favored 'General case' 0 CA--C 1.611 3.322 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 165.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.861 ' HB2' HD23 ' A' ' 7' ' ' LEU . 90.7 m-85 -91.99 97.86 11.21 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 129.181 2.993 . . . . 0.0 111.044 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -139.82 146.12 45.78 Favored Pre-proline 0 C--N 1.296 -1.724 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.243 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -69.7 151.31 69.39 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 115.174 -2.75 . . . . 0.0 111.724 -121.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.451 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 99.7 m -64.08 -44.87 91.07 Favored 'General case' 0 CA--C 1.466 -2.271 0 O-C-N 126.037 2.085 . . . . 0.0 114.258 163.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -67.65 -45.31 75.67 Favored 'General case' 0 C--O 1.157 -3.8 1 C-N-CA 132.814 4.446 . . . . 0.0 116.183 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -99.41 -35.59 9.86 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 116.742 -3.724 . . . . 0.0 115.418 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 41' ' ' THR . 83.0 m-70 65.63 24.7 11.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.151 2.98 . . . . 0.0 110.48 -167.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 97.3 mttt -94.19 -51.35 4.86 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -171.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.642 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 88.2 m-20 -61.04 -37.93 84.36 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 125.213 1.571 . . . . 0.0 106.799 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.735 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.5 ttp -64.46 -44.96 89.41 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.57 -36.57 84.22 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.64 -34.21 77.32 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.67 -44.17 90.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.19 -44.81 96.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.8 -41.93 99.49 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.202 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.81 -43.28 96.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 117.888 0.313 . . . . 0.0 111.343 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.8 ' CD2' HD12 ' A' ' 63' ' ' LEU . 14.2 m-85 -65.62 -37.24 86.01 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 125.474 1.733 . . . . 0.0 110.752 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.55 -45.37 94.14 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.711 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.06 -38.15 85.17 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 116.299 -1.81 . . . . 0.0 113.088 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 59' ' ' HIS . 99.4 mttt -112.93 140.6 47.6 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 125.247 1.592 . . . . 0.0 114.647 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.36 13.94 65.11 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 127.414 2.435 . . . . 0.0 116.111 -162.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 91.7 m-70 -61.37 -25.09 66.94 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 129.18 2.992 . . . . 0.0 106.446 -169.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.7 p -77.87 -149.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 104.247 -2.501 . . . . 0.0 104.247 -135.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.587 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -125.96 -44.61 1.77 Allowed 'General case' 0 C--N 1.285 -2.203 1 O-C-N 113.929 -5.482 . . . . 0.0 110.239 119.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -145.75 156.19 43.45 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.883 1.365 . . . . 0.0 113.033 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.81 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.6 tt -133.18 137.94 46.38 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 156.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.612 ' N ' HD23 ' A' ' 63' ' ' LEU . 49.5 t0 -150.58 162.14 41.22 Favored 'General case' 0 C--N 1.372 1.567 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.0 166.12 4.92 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 117.69 -3.131 . . . . 0.0 112.353 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 68' ' ' VAL . 99.4 t -97.46 131.36 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 117.964 -1.494 . . . . 0.0 110.874 145.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 69' ' ' SER . 39.6 mmt180 -87.45 57.07 4.22 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.512 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.1 m -97.36 13.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 C-N-CA 127.931 2.493 . . . . 0.0 107.552 131.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 95.0 p -62.34 -46.19 89.81 Favored 'General case' 0 CA--C 1.479 -1.755 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -58.83 -41.64 87.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.625 1.17 . . . . 0.0 108.435 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.26 -42.03 62.98 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 127.073 2.149 . . . . 0.0 116.772 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' THR . 98.3 mt-10 -119.13 -41.82 2.72 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.8 mttt 50.64 31.09 5.4 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 127.984 2.514 . . . . 0.0 114.972 -166.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 75' ' ' PHE . 32.5 p-10 -91.52 -2.42 57.19 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 171.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 1.2 t80 -134.61 108.39 8.03 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 122.522 2.419 . . . . 0.0 108.246 -134.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.735 HD11 ' HG3' ' A' ' 47' ' ' MET . 96.4 mt -109.88 127.65 54.85 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.082 -1.636 . . . . 0.0 111.676 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HB2' HG23 ' A' ' 66' ' ' VAL . 7.9 t80 -101.5 119.71 39.19 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 119.943 -1.723 . . . . 0.0 106.384 -171.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.693 ' C ' HD12 ' A' ' 79' ' ' LEU . 6.5 tm-20 -133.41 123.4 25.25 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.095 -1.628 . . . . 0.0 107.646 -159.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 82' ' ' ILE . 3.6 mp -117.09 133.1 56.42 Favored 'General case' 0 CA--C 1.483 -1.604 0 CA-C-O 116.822 -1.561 . . . . 0.0 110.461 -168.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.471 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 98.5 m-70 -113.37 130.25 56.33 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -169.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.903 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 71.1 mt 41.64 48.5 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.165 0 C-N-CA 115.347 -2.541 . . . . 0.0 116.753 -170.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.858 HD13 HD23 ' A' ' 79' ' ' LEU . 11.2 tp . . . . . 0 C--O 1.167 -3.274 0 O-C-N 118.035 -2.916 . . . . 0.0 113.302 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.589 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 94.8 mttt . . . . . 0 CA--C 1.497 -1.089 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.52 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.7 pp -145.94 154.43 41.91 Favored 'General case' 0 N--CA 1.405 -2.692 0 C-N-CA 117.007 -1.877 . . . . 0.0 112.554 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.955 ' CG2' HD11 ' A' ' 35' ' ' ILE . 53.3 t -125.23 104.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.617 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 38' ' ' PHE . 88.8 mt -71.59 142.39 50.0 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 124.212 1.958 . . . . 0.0 112.622 164.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.82 140.81 57.52 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.49 153.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -56.8 -48.67 77.43 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 159.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.658 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 98.4 m-20 -63.75 -42.54 97.84 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.23 -0.89 . . . . 0.0 112.896 -152.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 40' ' ' PRO . 34.8 p . . . . . 0 C--O 1.213 -0.835 0 CA-C-N 120.32 1.418 . . . . 0.0 113.806 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.883 ' CG1' HG13 ' A' ' 6' ' ' VAL . 9.5 p -64.55 -35.79 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 C-N-CA 129.007 2.923 . . . . 0.0 109.16 -172.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -46.41 85.01 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.682 HD21 ' HB3' ' A' ' 53' ' ' PHE . 93.0 mt -62.25 -46.97 86.46 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.22 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.89 -40.46 97.61 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' HG22 ' A' ' 19' ' ' VAL . 99.2 m-20 -68.11 -33.02 73.74 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.605 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 83.3 mt -58.03 -51.9 67.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 119.927 1.24 . . . . 0.0 109.029 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -60.64 -44.77 95.99 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.934 0.873 . . . . 0.0 110.104 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -85.48 -36.41 20.58 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 120.003 -1.686 . . . . 0.0 112.928 -169.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.561 ' OE2' ' HD2' ' A' ' 33' ' ' ARG . 48.3 mt-10 -60.29 -42.99 96.63 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.2 t80 -61.17 -48.81 79.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 117.797 0.271 . . . . 0.0 110.728 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -66.07 -41.34 90.9 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.62 -57.38 3.48 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.76 1.266 . . . . 0.0 108.329 -167.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -136.09 156.69 48.34 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 127.008 2.123 . . . . 0.0 114.742 -161.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HE2' HD13 ' A' ' 81' ' ' ILE . 98.4 mttt -108.99 123.74 49.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 116.71 -3.744 . . . . 0.0 113.593 169.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 32.0 ttm180 -166.18 172.57 11.09 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 119.884 -1.76 . . . . 0.0 110.263 -140.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.841 ' HB2' HD23 ' A' ' 79' ' ' LEU . 86.6 p -133.22 159.01 41.43 Favored 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 118.574 -2.579 . . . . 0.0 108.445 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.955 HD11 ' CG2' ' A' ' 6' ' ' VAL . 16.8 tt -123.83 147.68 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.968 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.62 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -101.2 124.01 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 129.0 2.92 . . . . 0.0 112.301 160.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.737 ' CD2' HD12 ' A' ' 76' ' ' LEU . 77.4 t80 -119.17 118.38 31.19 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.155 -1.591 . . . . 0.0 112.282 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 30.3 m-85 -112.48 85.0 2.07 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 127.693 2.397 . . . . 0.0 108.59 -161.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.68 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -132.88 140.39 37.5 Favored Pre-proline 0 CA--C 1.492 -1.262 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.06 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 10' ' ' ASN . 99.8 Cg_exo -60.38 143.96 99.5 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 N-CA-C 115.847 1.441 . . . . 0.0 115.847 -129.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.5 m -64.53 -38.68 91.86 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 123.132 1.444 . . . . 0.0 110.435 166.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -68.47 -40.19 81.11 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.201 1.4 . . . . 0.0 113.006 -167.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.53 -32.1 7.02 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 63.09 24.89 14.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.497 2.719 . . . . 0.0 114.194 -170.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -92.0 -56.55 3.03 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 124.58 1.152 . . . . 0.0 113.84 -163.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.488 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 80.5 m-20 -62.2 -35.9 80.28 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.633 174.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.428 ' HA ' ' HE2' ' A' ' 37' ' ' TYR . 63.7 ttp -64.53 -42.93 95.43 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.54 -42.12 91.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.387 0.675 . . . . 0.0 110.549 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.95 -39.74 90.66 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -59.49 -39.91 85.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.826 1.25 . . . . 0.0 112.343 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.68 -44.25 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 121.356 -0.84 . . . . 0.0 111.398 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -63.59 -42.74 98.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.682 ' HB3' HD21 ' A' ' 21' ' ' LEU . 18.3 m-30 -57.53 -40.31 78.51 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 119.043 0.838 . . . . 0.0 112.466 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' HZ ' ' HA ' ' A' ' 62' ' ' TYR . 44.9 t80 -67.88 -42.76 80.74 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 -167.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.61 -44.26 97.32 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.206 -1.816 . . . . 0.0 111.154 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -57.61 -46.36 84.17 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 115.734 -2.079 . . . . 0.0 110.632 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HD2' HD22 ' A' ' 21' ' ' LEU . 98.8 mttt -117.86 142.34 47.42 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 127.939 2.496 . . . . 0.0 115.802 -166.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.51 31.89 7.05 Favored Glycine 0 C--O 1.204 -1.73 0 C-N-CA 129.133 3.254 . . . . 0.0 118.97 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.1 m-70 -96.99 -39.76 9.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.608 2.704 . . . . 0.0 117.014 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 78' ' ' GLU . 82.7 m -63.1 153.19 34.96 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 126.103 2.859 . . . . 0.0 112.667 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.72 -42.2 42.25 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 117.388 -3.32 . . . . 0.0 114.062 166.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' N ' HG22 ' A' ' 60' ' ' THR . 62.9 t80 -157.23 154.41 29.14 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -177.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 62.5 tp -123.09 125.31 44.95 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.573 -0.705 . . . . 0.0 109.579 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 52.4 t0 -142.03 155.94 45.42 Favored 'General case' 0 C--N 1.365 1.251 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 160.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.51 153.2 23.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HB3' ' A' ' 69' ' ' SER . 19.8 m -71.65 159.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 124.611 2.148 . . . . 0.0 107.913 158.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -101.51 8.49 41.95 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.885 2.474 . . . . 0.0 112.905 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' A' ' 66' ' ' VAL . 17.0 m -77.97 -0.47 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.205 147.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.545 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 56.8 p -62.41 -38.29 89.11 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 -171.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 m -62.08 -40.11 94.71 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.742 0.782 . . . . 0.0 111.548 -169.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.84 -56.05 18.27 Favored 'General case' 0 N--CA 1.414 -2.229 0 CA-C-N 112.559 -2.109 . . . . 0.0 115.987 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -125.75 -21.9 4.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 121.417 -0.802 . . . . 0.0 112.715 -153.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 55.02 43.16 30.24 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.2 -46.83 4.5 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.194 -1.402 . . . . 0.0 114.208 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.0 m-85 -109.42 128.6 55.27 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 122.317 1.056 . . . . 0.0 109.316 -152.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' CD2' ' A' ' 37' ' ' TYR . 92.2 mt -96.57 141.62 29.61 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 119.952 -1.718 . . . . 0.0 110.321 161.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CZ ' HD21 ' A' ' 79' ' ' LEU . 2.0 t80 -112.03 101.76 10.03 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.71 ' CG ' HG21 ' A' ' 60' ' ' THR . 86.9 tt0 -114.98 140.99 48.59 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' ' 34' ' ' SER . 96.4 mt -124.38 122.23 37.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 42.7 m170 -109.47 124.76 51.59 Favored 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 119.319 -2.113 . . . . 0.0 110.123 -157.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.563 HD13 ' HE2' ' A' ' 32' ' ' LYS . 93.9 mt 45.65 -45.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.617 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.742 -155.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 34' ' ' SER . 41.4 pt . . . . . 0 C--O 1.209 -1.048 0 CA-C-N 125.102 3.592 . . . . 0.0 112.734 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 95.5 mttt . . . . . 0 C--O 1.213 -0.828 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.88 HD23 ' HB2' ' A' ' 36' ' ' PHE . 46.9 mt -124.33 149.58 46.42 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.756 HG21 ' OE1' ' A' ' 20' ' ' GLU . 83.6 t -123.42 144.24 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 125.683 1.864 . . . . 0.0 107.394 162.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 38' ' ' PHE . 82.5 mt -108.98 148.41 30.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.974 1.369 . . . . 0.0 109.906 174.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -63.77 158.47 21.7 Favored 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 124.782 1.233 . . . . 0.0 111.732 166.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.857 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -86.17 -26.15 25.3 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 118.852 -2.405 . . . . 0.0 113.464 166.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -64.81 -38.86 92.41 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 123.379 2.809 . . . . 0.0 111.893 -154.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 CA--C 1.5 -0.95 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.392 -168.673 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.97 -40.85 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 125.936 1.694 . . . . 0.0 112.021 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.756 ' OE1' HG21 ' A' ' 6' ' ' VAL . 27.5 tp10 -61.3 -43.41 98.92 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' A' ' 24' ' ' LEU . 77.2 mt -56.76 -48.65 77.38 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.301 -1.499 . . . . 0.0 113.434 -172.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.72 -39.1 90.83 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -68.93 -31.84 71.02 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-N 120.553 1.524 . . . . 0.0 109.197 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 80' ' ' HIS . 43.3 mt -53.18 -57.29 10.97 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 119.041 0.837 . . . . 0.0 109.196 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.87 -50.13 70.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.718 1.247 . . . . 0.0 111.14 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 39.3 t-80 -67.68 -46.76 71.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.512 -172.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.34 -40.75 98.15 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -65.93 -44.13 86.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.963 1.305 . . . . 0.0 112.19 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE1' ' CE1' ' A' ' 26' ' ' HIS . 84.1 tt0 -78.55 -46.35 19.68 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.166 0.587 . . . . 0.0 110.769 -175.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.68 165.49 27.26 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.627 1.203 . . . . 0.0 112.929 -170.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -114.78 104.3 11.82 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.693 -1.255 . . . . 0.0 113.929 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 35.6 ttm180 -157.21 161.3 39.26 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.711 -0.618 . . . . 0.0 112.352 -142.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 55.3 p -126.17 153.04 45.18 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' LYS . 37.2 mm -114.94 145.71 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 128.892 2.877 . . . . 0.0 110.31 -171.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.88 ' HB2' HD23 ' A' ' 5' ' ' LEU . 62.0 m-85 -108.02 127.93 54.2 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.625 160.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.565 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 71.2 t80 -110.04 112.73 24.91 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -169.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.7 t80 -101.96 105.61 16.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 122.26 1.029 . . . . 0.0 108.758 -172.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -150.8 141.59 14.78 Favored Pre-proline 0 N--CA 1.443 -0.823 0 O-C-N 120.394 -1.441 . . . . 0.0 113.721 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 62.9 Cg_exo -62.47 143.53 93.35 Favored 'Trans proline' 0 N--CA 1.442 -1.545 0 C-N-CA 118.015 -0.857 . . . . 0.0 112.819 -118.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 72' ' ' GLU . 75.1 m -56.12 -41.77 75.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.546 2.117 . . . . 0.0 108.483 164.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.9 -41.08 75.19 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 112.273 -2.239 . . . . 0.0 111.852 -168.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -118.95 -26.42 6.01 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 119.032 -1.067 . . . . 0.0 112.21 -172.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 55.71 32.17 18.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.152 1.381 . . . . 0.0 111.157 -170.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -97.11 -54.11 3.28 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 120.885 -1.135 . . . . 0.0 113.853 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.6 m-20 -59.3 -34.9 72.87 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.705 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 66.3 ttp -71.11 -44.63 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.759 1.223 . . . . 0.0 113.761 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.99 -41.23 97.81 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.66 -35.42 77.92 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -60.19 -41.99 94.11 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -54.35 -42.13 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-O 122.345 1.069 . . . . 0.0 109.442 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.31 -44.12 76.14 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 114.254 -1.339 . . . . 0.0 114.057 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -53.86 -38.84 65.12 Favored 'General case' 0 N--CA 1.428 -1.532 0 O-C-N 124.351 1.032 . . . . 0.0 110.362 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.089 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.8 m-85 -77.18 -35.56 55.75 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-O 122.842 1.306 . . . . 0.0 108.685 -158.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.97 -37.93 82.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 CA-C-O 114.131 -2.842 . . . . 0.0 112.076 168.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.27 -27.1 66.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 122.051 2.205 . . . . 0.0 115.158 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -114.53 143.43 44.99 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.899 -1.126 . . . . 0.0 113.921 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.95 -31.2 80.14 Favored Glycine 0 CA--C 1.552 2.387 0 N-CA-C 119.118 2.407 . . . . 0.0 119.118 -171.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -64.99 -42.42 94.53 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 120.879 2.34 . . . . 0.0 116.953 -147.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.497 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 9.9 t -57.1 146.15 28.58 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.469 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.25 -59.05 2.4 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 169.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.9 ' HB2' HD21 ' A' ' 79' ' ' LEU . 97.4 m-85 -131.65 158.29 41.46 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.035 -172.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.089 HD22 ' HD2' ' A' ' 54' ' ' PHE . 48.6 tp -134.63 128.95 34.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 164.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -140.69 162.42 35.45 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.982 1.313 . . . . 0.0 113.177 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -93.57 144.33 25.48 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 118.335 -2.728 . . . . 0.0 109.63 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 68' ' ' VAL . 60.7 t -84.76 138.93 18.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 120.595 -1.316 . . . . 0.0 110.181 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 26.1 mmm180 -103.57 25.72 9.36 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 120.321 -1.487 . . . . 0.0 114.241 -174.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 66' ' ' VAL . 20.2 m -82.96 22.55 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.519 1.628 . . . . 0.0 109.855 139.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 19.7 p -62.16 -31.23 71.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.889 -1.757 . . . . 0.0 112.724 171.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -60.69 -41.05 94.36 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -77.17 -35.1 56.17 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 114.262 -2.78 . . . . 0.0 118.386 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' THR . 98.1 mt-10 -131.52 -42.37 1.05 Allowed 'General case' 0 N--CA 1.481 1.107 0 O-C-N 126.446 2.341 . . . . 0.0 113.806 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.488 ' H ' ' HA ' ' A' ' 69' ' ' SER . 84.0 tttt 49.92 38.18 15.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.189 1.795 . . . . 0.0 111.651 -172.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -123.83 5.04 8.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.682 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -108.64 124.09 49.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.858 1.208 . . . . 0.0 113.617 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 69.6 mt -88.33 147.26 24.85 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.618 152.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 56.0 t80 -105.45 110.57 22.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.482 1.913 . . . . 0.0 105.855 162.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 74.1 tt0 -114.82 148.32 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD21 ' HB2' ' A' ' 62' ' ' TYR . 1.2 pt? -134.88 136.53 42.46 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.384 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.916 ' NE2' HD23 ' A' ' 24' ' ' LEU . 75.4 m80 -108.16 122.87 47.8 Favored 'General case' 0 CA--C 1.495 -1.154 0 O-C-N 124.5 1.125 . . . . 0.0 109.201 -167.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' ILE . 20.1 tt 20.21 82.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 126.131 2.144 . . . . 0.0 115.088 -156.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 79' ' ' LEU . 20.1 tt . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 124.862 1.265 . . . . 0.0 114.228 165.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.804 ' HA ' HH22 ' A' ' 33' ' ' ARG . 99.4 mttt . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.846 HD23 ' HB2' ' A' ' 36' ' ' PHE . 77.5 mt -125.96 151.04 47.55 Favored 'General case' 0 CA--C 1.475 -1.933 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 1.005 HG21 ' OE1' ' A' ' 20' ' ' GLU . 59.8 t -124.57 142.53 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 O-C-N 125.694 1.871 . . . . 0.0 107.083 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.3 143.0 37.75 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.94 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -57.02 155.21 8.5 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 125.147 1.379 . . . . 0.0 111.125 159.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HE2' ' OD1' ' A' ' 46' ' ' ASP . 65.2 pttt -64.96 -40.89 95.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 119.623 -1.923 . . . . 0.0 113.724 169.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.93 -37.34 81.98 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.488 1.915 . . . . 0.0 109.228 -162.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.441 -0.889 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -157.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 CA--C 1.501 -0.935 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -34.57 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 CA-C-O 116.07 -1.919 . . . . 0.0 114.325 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 1.005 ' OE1' HG21 ' A' ' 6' ' ' VAL . 38.5 tp10 -58.31 -45.36 88.16 Favored 'General case' 1 C--O 1.132 -5.117 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 53' ' ' PHE . 97.2 mt -60.79 -49.12 78.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.78 -37.56 87.16 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 117.779 -1.105 . . . . 0.0 111.109 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.48 -36.27 73.76 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 116.206 -1.854 . . . . 0.0 111.214 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 96.7 mt -49.49 -56.58 9.3 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.02 -52.5 59.2 Favored 'General case' 0 N--CA 1.437 -1.087 0 O-C-N 120.937 -1.102 . . . . 0.0 112.665 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.84 -36.53 56.76 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.329 -0.948 . . . . 0.0 113.221 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.757 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 83.8 mt-10 -64.41 -40.37 95.65 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.9 t80 -61.1 -51.21 70.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.409 1.099 . . . . 0.0 112.898 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.2 p -63.88 -42.53 97.47 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 121.156 -0.965 . . . . 0.0 108.765 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -74.16 -49.35 24.05 Favored 'General case' 0 C--O 1.273 2.292 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -172.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -154.75 160.35 41.26 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 122.001 0.905 . . . . 0.0 113.246 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' A' ' 81' ' ' ILE . 64.4 pttt -106.57 117.26 33.58 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.804 HH22 ' HA ' ' A' ' 4' ' ' LYS . 10.1 ptm180 -160.93 -175.13 4.75 Favored 'General case' 0 CA--C 1.477 -1.831 0 O-C-N 120.451 -1.405 . . . . 0.0 109.672 -144.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.466 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 86.2 p -149.77 164.39 35.42 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.752 HG22 ' NH2' ' A' ' 33' ' ' ARG . 1.4 pp -134.69 164.36 34.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.846 ' HB2' HD23 ' A' ' 5' ' ' LEU . 72.6 m-85 -114.83 124.48 51.85 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.757 -1.11 . . . . 0.0 113.87 157.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -102.1 115.27 30.19 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -172.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 3.6 t80 -93.06 103.28 15.59 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 124.394 1.078 . . . . 0.0 108.849 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -134.84 143.92 48.33 Favored Pre-proline 0 CA--C 1.465 -2.299 0 O-C-N 119.364 -2.085 . . . . 0.0 109.084 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -62.92 152.43 79.13 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 115.678 -2.414 . . . . 0.0 116.941 -129.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 m -68.69 -40.68 79.94 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 161.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.9 -43.72 78.62 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 115.506 -2.188 . . . . 0.0 115.41 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.52 -26.46 11.4 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 122.278 2.308 . . . . 0.0 116.013 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.87 20.73 12.39 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.578 2.351 . . . . 0.0 111.009 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -93.3 -53.17 4.2 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.695 -1.878 . . . . 0.0 112.583 -163.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.94 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 64.2 m-20 -64.2 -35.62 81.41 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 65.0 ttp -61.96 -46.91 87.2 Favored 'General case' 0 CA--C 1.56 1.352 0 O-C-N 124.449 1.093 . . . . 0.0 113.731 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.38 -37.36 86.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.238 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.29 -35.67 81.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.647 -1.221 . . . . 0.0 112.069 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -55.94 -40.17 72.77 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.65 -49.13 46.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 124.292 0.995 . . . . 0.0 111.583 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 98.1 m-20 -75.63 -40.05 56.83 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 116.767 -1.587 . . . . 0.0 109.36 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m-30 -63.78 -37.88 89.03 Favored 'General case' 0 CA--C 1.476 -1.89 0 C-N-CA 118.036 -1.466 . . . . 0.0 110.845 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.951 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.0 m-30 -61.7 -43.46 98.81 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 125.83 1.956 . . . . 0.0 109.991 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.81 -42.65 85.55 Favored 'General case' 0 CA--C 1.48 -1.749 0 C-N-CA 124.131 0.972 . . . . 0.0 112.573 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 95.3 mt-10 -59.71 -29.11 67.89 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-O 125.664 2.65 . . . . 0.0 111.523 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.99 146.1 29.51 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 117.038 -3.539 . . . . 0.0 112.877 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.5 -11.21 85.08 Favored Glycine 1 C--O 1.167 -4.076 0 N-CA-C 120.92 3.128 . . . . 0.0 120.92 -173.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -65.87 -44.22 86.02 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.0 t -67.3 148.46 51.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.12 -45.73 8.51 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 165.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.788 ' HD2' HD13 ' A' ' 79' ' ' LEU . 78.8 t80 -144.25 120.85 11.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -153.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' HD2' ' A' ' 54' ' ' PHE . 63.2 tp -119.19 136.43 54.2 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 172.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.39 171.76 17.54 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.64 162.83 28.98 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.337 -2.102 . . . . 0.0 110.264 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 69' ' ' SER . 18.7 m -80.39 163.87 3.28 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-O 124.045 1.879 . . . . 0.0 108.907 147.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -72.84 -31.32 64.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 129.205 3.002 . . . . 0.0 116.417 167.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 66' ' ' VAL . 30.0 m -62.85 -9.29 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.367 -1.458 . . . . 0.0 111.234 161.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 66.3 m -59.78 -43.08 94.57 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 116.553 -1.689 . . . . 0.0 111.468 171.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -62.15 -38.31 88.52 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 123.068 2.667 . . . . 0.0 109.271 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.53 -42.47 78.41 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -125.21 -26.15 3.7 Favored 'General case' 0 CA--C 1.431 -3.627 0 C-N-CA 117.799 -1.56 . . . . 0.0 112.23 -169.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 45.06 56.4 5.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 O-C-N 119.732 -1.855 . . . . 0.0 115.841 -158.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -92.51 -44.35 8.69 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 148.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' PHE . 28.6 m-85 -110.75 133.3 53.46 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 121.236 1.834 . . . . 0.0 112.814 -150.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.1 mt -100.46 138.57 37.35 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 120.546 -1.346 . . . . 0.0 112.2 160.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 6.4 t80 -93.74 106.26 18.24 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 176.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 79' ' ' LEU . 17.5 tt0 -125.75 127.34 46.02 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.687 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.788 HD13 ' HD2' ' A' ' 62' ' ' TYR . 5.3 mp -119.42 128.33 53.94 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 119.841 -1.787 . . . . 0.0 108.617 -162.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.484 ' O ' ' HB ' ' A' ' 81' ' ' ILE . 63.2 m170 -110.25 124.07 50.94 Favored 'General case' 0 CA--C 1.456 -2.648 0 CA-C-O 114.502 -2.666 . . . . 0.0 108.034 -162.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 80' ' ' HIS . 91.6 mt 59.95 -60.68 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.607 -2.14 . . . . 0.0 107.868 -160.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.5 pt . . . . . 1 C--O 1.337 5.673 1 CA-C-O 108.909 -5.329 . . . . 0.0 104.417 -162.749 . . . . . . . . 2 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HG2' HH21 ' A' ' 33' ' ' ARG . 95.8 mttt . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 119.39 3.107 . . . . 0.0 119.39 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 pp -120.46 159.62 24.78 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 112.377 -3.678 . . . . 0.0 111.455 -172.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 20' ' ' GLU . 97.0 t -108.91 142.54 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 128.694 3.746 . . . . 0.0 110.334 159.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.3 mt -112.83 139.07 48.77 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.563 -1.336 . . . . 0.0 113.478 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -66.84 145.38 55.55 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 121.424 -0.797 . . . . 0.0 112.701 167.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -82.93 -30.63 28.24 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.03 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.91 -43.96 91.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.419 1.009 . . . . 0.0 110.255 -159.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 175.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.54 -39.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 125.556 1.542 . . . . 0.0 113.74 -155.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 26.6 pt-20 -57.77 -41.5 82.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 119.283 0.947 . . . . 0.0 112.598 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.3 mt -61.79 -47.15 86.43 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 119.413 -2.055 . . . . 0.0 110.675 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.04 -43.47 98.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 116.555 -1.688 . . . . 0.0 112.648 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -66.87 -36.57 82.61 Favored 'General case' 0 CA--C 1.484 -1.579 0 O-C-N 124.577 1.173 . . . . 0.0 108.892 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.5 mp -64.28 -50.25 68.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 119.765 1.166 . . . . 0.0 107.976 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.04 -48.84 78.88 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.293 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -83.64 -37.78 22.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -168.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 94.7 mt-10 -61.61 -42.19 98.52 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 119.635 -1.916 . . . . 0.0 108.997 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 81' ' ' ILE . 1.3 t80 -59.42 -47.62 84.76 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.232 0.957 . . . . 0.0 111.742 177.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -71.13 -33.31 69.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.01 -46.95 14.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 119.126 0.875 . . . . 0.0 108.762 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -147.68 166.36 27.69 Favored 'General case' 0 CA--C 1.558 1.271 0 O-C-N 121.86 -0.525 . . . . 0.0 111.733 -154.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 81' ' ' ILE . 83.4 mttt -126.47 115.95 20.37 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 118.31 -2.744 . . . . 0.0 115.366 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 4' ' ' LYS . 17.1 ptm180 -168.71 172.84 7.64 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.315 -137.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -135.17 172.01 13.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 120.006 1.276 . . . . 0.0 108.342 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.722 HD11 ' OE1' ' A' ' 78' ' ' GLU . 44.5 pt -142.16 165.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-O 122.998 1.38 . . . . 0.0 109.194 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' HB2' ' HE1' ' A' ' 38' ' ' PHE . 50.9 m-85 -112.58 148.08 35.3 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.436 -1.256 . . . . 0.0 107.817 162.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.807 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -119.36 123.81 45.06 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 177.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' HB2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -106.02 89.75 3.16 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 127.4 2.28 . . . . 0.0 106.75 -177.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.807 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -134.4 144.9 53.04 Favored Pre-proline 0 C--O 1.204 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 112.589 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 59.8 Cg_exo -60.39 149.15 87.67 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 CA-C-O 115.889 -1.796 . . . . 0.0 115.495 -122.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -64.88 -47.12 78.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 116.828 -1.949 . . . . 0.0 111.507 155.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -70.07 -38.1 75.64 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 125.09 1.356 . . . . 0.0 111.559 -160.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.73 -38.76 10.2 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 53.32 36.03 21.78 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 128.821 2.849 . . . . 0.0 112.562 -165.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -101.22 -57.3 2.12 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.313 -167.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.7 m-20 -67.18 -36.14 81.13 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.658 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.8 ttp -64.09 -41.68 97.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.618 0.644 . . . . 0.0 111.631 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -43.83 90.43 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.894 0.878 . . . . 0.0 110.428 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.17 -35.3 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -61.75 -38.84 89.45 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.339 1.025 . . . . 0.0 113.346 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.09 -46.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.999 0.904 . . . . 0.0 109.656 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.0 -43.0 89.02 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.76 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.31 -38.26 90.41 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD13 ' A' ' 63' ' ' LEU . 20.5 m-30 -64.83 -35.05 79.85 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 122.872 1.32 . . . . 0.0 111.559 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.42 -34.84 58.79 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 116.267 -1.825 . . . . 0.0 114.796 169.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.45 -32.01 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 121.253 1.842 . . . . 0.0 111.426 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.952 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.4 mttt -125.06 140.84 52.54 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.84 -16.3 70.61 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 118.481 2.153 . . . . 0.0 118.481 -155.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 96.3 m-70 -77.28 -29.13 53.66 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 117.167 -3.549 . . . . 0.0 117.147 -157.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -64.1 145.63 55.59 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 120.749 -1.219 . . . . 0.0 109.083 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 1.069 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -73.44 -38.14 65.61 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 121.273 -0.892 . . . . 0.0 110.014 167.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -163.14 164.68 25.19 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.855 1.347 . . . . 0.0 113.33 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.045 HD13 ' HD2' ' A' ' 54' ' ' PHE . 2.5 pt? -134.87 148.06 50.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.106 -0.996 . . . . 0.0 112.134 163.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -161.17 161.11 30.88 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.85 158.81 12.31 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.158 -0.964 . . . . 0.0 113.237 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.747 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.2 t -81.29 134.8 26.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 C-N-CA 116.097 -2.241 . . . . 0.0 109.809 151.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.479 ' HA ' ' H ' ' A' ' 69' ' ' SER . 93.2 mtt-85 -84.47 66.19 9.33 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 118.703 -2.498 . . . . 0.0 114.284 158.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.747 ' H ' HG12 ' A' ' 66' ' ' VAL . 28.6 m -97.61 9.48 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 128.825 2.85 . . . . 0.0 111.522 119.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.479 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 79.7 p -63.99 -43.24 96.31 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.0 p -57.54 -38.62 75.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -169.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -82.43 -41.7 19.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 127.7 3.125 . . . . 0.0 116.521 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -123.25 -27.23 4.17 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 119.471 1.032 . . . . 0.0 112.953 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.9 mttt 44.66 51.57 8.11 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -102.51 -36.41 8.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.447 -1.408 . . . . 0.0 112.068 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 27.0 m-85 -122.41 120.85 35.17 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 -140.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.5 mt -95.31 152.81 18.05 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.07 110.83 21.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.823 1.649 . . . . 0.0 109.421 167.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' A' ' 35' ' ' ILE . 83.6 tt0 -111.36 133.87 53.36 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.665 -0.647 . . . . 0.0 109.38 -175.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.914 HD22 HD12 ' A' ' 82' ' ' ILE . 2.2 mp -116.38 124.31 49.75 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 120.145 -1.597 . . . . 0.0 108.757 -174.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -107.23 121.88 45.43 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -168.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 81' ' ' ILE . 84.7 mt 45.8 53.24 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 O-C-N 125.097 1.498 . . . . 0.0 112.116 -163.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.069 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.9 tt . . . . . 0 C--O 1.208 -1.113 1 O-C-N 115.72 -4.363 . . . . 0.0 116.559 164.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.1 mttt . . . . . 0 C--O 1.24 0.562 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 4' ' ' LYS . 2.9 mp -127.39 151.68 48.49 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 20' ' ' GLU . 85.6 t -124.57 130.42 73.49 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 159.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 7' ' ' LEU . 5.5 mp -96.83 151.33 19.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.973 0.909 . . . . 0.0 112.01 170.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.698 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -67.91 142.04 56.17 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 130.668 3.587 . . . . 0.0 114.559 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.16 -41.42 98.29 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.996 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -67.65 -45.49 75.15 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 116.199 -1.858 . . . . 0.0 114.973 -170.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.492 HG23 ' HB3' ' A' ' 40' ' ' PRO . 39.9 p . . . . . 0 C--N 1.288 -2.088 0 CA-C-N 120.716 1.598 . . . . 0.0 112.828 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.06 -37.98 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -155.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.619 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 34.9 tp10 -62.42 -45.85 91.22 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.319 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 77.0 mt -61.36 -53.78 52.25 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-O 114.09 -2.862 . . . . 0.0 108.304 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.36 -43.75 98.35 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 122.567 2.44 . . . . 0.0 112.144 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 55.2 t0 -64.92 -38.45 91.02 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 128.604 3.69 . . . . 0.0 107.844 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.619 HD23 ' CE1' ' A' ' 80' ' ' HIS . 14.2 mt -49.6 -61.51 2.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 123.869 1.795 . . . . 0.0 111.83 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 59' ' ' HIS . 73.1 t80 -66.02 -43.76 86.73 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.963 -1.085 . . . . 0.0 110.126 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -73.3 -42.47 62.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 119.594 -1.941 . . . . 0.0 114.323 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 34.2 tt0 -61.66 -44.55 96.75 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 115.073 -2.394 . . . . 0.0 105.777 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HD1' ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.77 -35.12 72.46 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 115.973 -2.291 . . . . 0.0 113.724 -177.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.4 p -65.44 -46.74 78.69 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-O 115.944 -1.979 . . . . 0.0 110.941 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -81.56 -41.15 22.01 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 125.694 1.871 . . . . 0.0 113.298 -165.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -159.74 149.07 18.01 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-O 125.039 2.352 . . . . 0.0 114.905 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 81' ' ' ILE . 96.9 mttt -102.48 116.22 32.17 Favored 'General case' 0 C--O 1.302 3.86 1 O-C-N 115.207 -4.683 . . . . 0.0 112.254 -170.105 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -175.82 166.52 3.09 Favored 'General case' 0 C--N 1.25 -3.744 0 CA-C-N 123.356 2.798 . . . . 0.0 108.336 -134.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.622 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 91.6 p -144.19 155.57 43.95 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 125.091 1.357 . . . . 0.0 110.107 -168.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.605 HD11 ' OE1' ' A' ' 78' ' ' GLU . 47.9 pt -131.31 149.15 32.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.593 1.187 . . . . 0.0 109.726 -169.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 92.2 m-85 -93.9 152.67 18.7 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-O 123.204 1.478 . . . . 0.0 108.41 148.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 16.6 t80 -123.4 112.4 17.51 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.85 1.26 . . . . 0.0 107.829 173.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 43.4 t80 -93.54 94.09 8.45 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 125.623 1.569 . . . . 0.0 111.847 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -135.25 143.2 44.63 Favored Pre-proline 0 C--O 1.206 -1.207 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.492 ' HB3' HG23 ' A' ' 11' ' ' THR . 73.3 Cg_endo -64.96 152.17 83.27 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 115.662 -2.426 . . . . 0.0 115.314 -124.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.0 m -69.1 -37.65 78.52 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 125.245 1.418 . . . . 0.0 111.488 158.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.98 -47.58 65.25 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 120.262 -1.524 . . . . 0.0 112.692 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.88 8.33 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.25 -166.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 91.0 m-70 58.25 32.53 22.16 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 123.158 1.456 . . . . 0.0 111.517 -168.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.45 -54.86 2.83 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 124.409 1.083 . . . . 0.0 113.886 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.698 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 96.5 m-20 -61.19 -35.11 76.26 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 125.622 1.826 . . . . 0.0 107.077 172.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 58.2 ttm -66.21 -43.01 87.95 Favored 'General case' 0 N--CA 1.444 -0.768 1 O-C-N 116.064 -4.148 . . . . 0.0 114.651 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.14 -44.07 83.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.865 0.841 . . . . 0.0 110.382 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.36 -37.98 88.67 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.13 1.772 . . . . 0.0 112.437 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -55.53 -44.83 77.05 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.77 -42.92 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 123.354 1.55 . . . . 0.0 109.575 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.07 -44.28 72.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 116.755 -1.593 . . . . 0.0 114.041 172.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.42 -45.72 93.14 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 120.585 1.539 . . . . 0.0 110.045 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.974 ' HD2' HD22 ' A' ' 63' ' ' LEU . 22.5 m-30 -63.07 -47.26 83.68 Favored 'General case' 0 CA--C 1.468 -2.187 0 CA-C-O 113.804 -2.998 . . . . 0.0 104.079 -165.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.66 -39.5 94.09 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 121.518 1.963 . . . . 0.0 111.094 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -53.16 -45.43 68.45 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 117.902 -2.999 . . . . 0.0 113.453 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 98.1 mttt -93.42 144.09 25.66 Favored 'General case' 0 CA--C 1.463 -2.393 1 CA-C-O 111.401 -4.143 . . . . 0.0 116.261 176.171 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -6.67 59.02 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 127.928 2.68 . . . . 0.0 118.852 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CE1' ' HD3' ' A' ' 57' ' ' LYS . 63.5 m170 -68.75 -30.85 69.55 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 112.413 -3.66 . . . . 0.0 106.868 -152.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -101.13 146.61 27.25 Favored 'General case' 0 C--N 1.265 -3.081 1 CA-C-N 130.115 5.871 . . . . 0.0 112.783 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.3 -49.63 68.78 Favored 'General case' 0 CA--C 1.499 -1.01 0 O-C-N 118.121 -2.862 . . . . 0.0 118.135 170.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -145.22 153.53 41.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.853 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.974 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -127.02 135.01 50.23 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 160.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -159.6 145.6 16.04 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.86 158.81 7.69 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 116.725 -3.734 . . . . 0.0 116.813 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 68' ' ' VAL . 57.5 t -74.52 141.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-O 115.279 -2.296 . . . . 0.0 106.862 155.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.629 ' HD3' ' OG ' ' A' ' 69' ' ' SER . 40.4 mmt180 -90.63 61.51 4.87 Favored 'General case' 0 C--O 1.189 -2.101 1 CA-C-N 127.245 4.566 . . . . 0.0 118.305 151.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.703 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.4 m -96.87 7.44 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 127.525 2.33 . . . . 0.0 109.364 128.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.629 ' OG ' ' HD3' ' A' ' 67' ' ' ARG . 94.0 p -63.25 -43.23 98.59 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 127.146 2.178 . . . . 0.0 112.453 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.1 p -62.73 -34.44 77.18 Favored 'General case' 0 C--O 1.202 -1.408 0 CA-C-O 115.807 -2.044 . . . . 0.0 109.439 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -84.29 -51.11 7.25 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 116.432 -1.747 . . . . 0.0 114.815 167.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -120.54 -26.66 5.3 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 124.382 3.264 . . . . 0.0 107.256 -158.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HG2' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tptp 52.88 45.12 29.41 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 130.405 3.482 . . . . 0.0 113.271 172.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.21 -41.38 6.4 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.506 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 67.9 m-85 -108.68 117.32 33.87 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 127.906 2.482 . . . . 0.0 110.119 -152.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 94.0 mt -83.42 141.55 31.63 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.165 156.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CD2' HD11 ' A' ' 79' ' ' LEU . 28.2 t80 -104.3 114.32 28.48 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 123.248 1.499 . . . . 0.0 108.659 162.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.621 ' C ' HD12 ' A' ' 79' ' ' LEU . 85.1 tt0 -125.13 127.95 47.65 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -174.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.704 ' N ' HD12 ' A' ' 79' ' ' LEU . 3.6 mp -116.36 129.0 56.02 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 117.289 -3.382 . . . . 0.0 108.017 -161.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.619 ' CE1' HD23 ' A' ' 24' ' ' LEU . 10.9 m170 -112.19 115.83 29.47 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 81' ' ' ILE . 63.2 mt 51.62 41.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.358 -174.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.622 ' CD1' ' HB3' ' A' ' 34' ' ' SER . 94.7 mt . . . . . 1 C--O 1.357 6.732 3 CA-C-O 109.571 -5.014 . . . . 0.0 110.194 -178.716 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.4 mttt . . . . . 0 CA--C 1.565 1.52 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.659 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 94.0 mt -115.55 145.48 42.61 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 20' ' ' GLU . 91.4 t -123.52 121.62 63.05 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.296 1 O-C-N 129.514 4.259 . . . . 0.0 116.05 169.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.7 mt -101.39 146.5 27.52 Favored 'General case' 0 C--O 1.183 -2.401 0 CA-C-O 125.236 2.446 . . . . 0.0 110.673 -166.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -58.47 135.69 57.33 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.259 -2.775 . . . . 0.0 116.282 163.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.97 -42.18 97.32 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-O 116.936 -1.507 . . . . 0.0 112.023 163.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.34 -49.1 75.27 Favored 'General case' 0 C--O 1.208 -1.128 0 O-C-N 124.968 1.418 . . . . 0.0 113.452 -151.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--N 1.306 -1.288 0 N-CA-C 118.185 2.661 . . . . 0.0 118.185 168.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.9 p . . . . . 0 N--CA 1.504 2.265 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG12 ' OD2' ' A' ' 23' ' ' ASP . 96.3 t -64.34 -35.57 74.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 C-N-CA 126.687 1.995 . . . . 0.0 114.145 -158.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.691 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . 34.1 tp10 -60.14 -43.7 95.52 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 120.78 -1.2 . . . . 0.0 109.341 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD22 ' HD2' ' A' ' 57' ' ' LYS . 97.2 mt -62.92 -47.29 83.9 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.32 -36.97 85.69 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 119.144 -2.222 . . . . 0.0 110.976 174.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' OD2' HG12 ' A' ' 19' ' ' VAL . 94.6 m-20 -64.96 -40.56 95.17 Favored 'General case' 0 CA--C 1.473 -2.015 0 O-C-N 126.315 2.259 . . . . 0.0 110.934 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' CD2' ' A' ' 80' ' ' HIS . 68.0 mt -49.35 -58.42 5.13 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 123.861 1.791 . . . . 0.0 108.651 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 76.4 t80 -65.58 -49.35 69.14 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -173.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.418 ' HD2' ' HD2' ' A' ' 25' ' ' TYR . 64.2 m170 -69.65 -42.67 73.93 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.592 -169.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.769 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 97.1 mt-10 -65.77 -43.39 88.98 Favored 'General case' 0 C--O 1.2 -1.515 0 O-C-N 126.265 2.228 . . . . 0.0 110.452 -175.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 81' ' ' ILE . 2.4 t80 -56.63 -52.56 64.42 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 124.888 1.367 . . . . 0.0 107.696 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.8 p -61.83 -46.59 88.81 Favored 'General case' 0 CA--C 1.49 -1.337 0 O-C-N 125.483 1.739 . . . . 0.0 112.298 -170.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.73 -46.39 37.76 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 128.218 3.449 . . . . 0.0 108.0 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.672 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 20.6 t0 -151.22 159.81 44.18 Favored 'General case' 0 N--CA 1.423 -1.813 0 O-C-N 121.027 -1.045 . . . . 0.0 113.776 -165.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.71 110.61 21.7 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 117.656 -3.153 . . . . 0.0 112.946 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 13.6 ptm180 -167.8 159.36 11.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 120.754 1.616 . . . . 0.0 109.756 -136.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.582 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 74.7 p -131.1 154.17 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 -163.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.433 HG12 ' HE1' ' A' ' 80' ' ' HIS . 45.7 pt -134.92 162.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 123.97 0.908 . . . . 0.0 108.551 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.659 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 90.2 m-85 -114.04 123.31 49.38 Favored 'General case' 0 C--O 1.194 -1.825 0 C-N-CA 128.537 2.735 . . . . 0.0 103.853 166.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.691 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t80 -85.12 115.83 23.14 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 131.243 3.817 . . . . 0.0 114.003 164.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.4 t80 -104.59 88.86 3.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 116.487 -3.883 . . . . 0.0 111.408 -175.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.815 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -139.91 151.58 65.8 Favored Pre-proline 0 CA--C 1.498 -1.045 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 -166.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.638 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.9 Cg_exo -62.74 149.82 90.04 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 113.509 -3.86 . . . . 0.0 115.936 -130.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.5 m -63.95 -43.89 94.45 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 126.297 2.248 . . . . 0.0 115.972 154.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -65.04 -42.97 93.83 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.772 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -101.58 -40.0 7.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.424 -1.423 . . . . 0.0 111.106 -176.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.658 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 97.2 m-70 60.15 23.53 12.83 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 130.222 3.409 . . . . 0.0 114.593 -158.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.772 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.4 mttt -91.89 -44.77 8.73 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 115.498 -2.481 . . . . 0.0 106.111 -158.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 67.6 m-20 -62.59 -41.24 98.84 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 125.215 1.572 . . . . 0.0 107.461 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.99 -43.73 98.43 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.16 -37.1 83.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.16 -33.58 75.72 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 118.575 -2.578 . . . . 0.0 117.837 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.95 -40.9 73.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 123.053 1.406 . . . . 0.0 114.754 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.34 -45.81 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 CA-C-O 123.293 1.521 . . . . 0.0 108.804 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.28 -40.97 97.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -58.62 -43.54 89.69 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 120.445 -1.409 . . . . 0.0 112.155 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.1 m-85 -63.49 -43.37 97.46 Favored 'General case' 1 C--O 1.144 -4.449 0 CA-C-O 116.372 -1.775 . . . . 0.0 110.789 -177.223 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.67 -39.51 94.51 Favored 'General case' 0 CA--C 1.476 -1.876 0 CA-C-N 120.156 1.344 . . . . 0.0 111.0 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.01 -50.19 71.55 Favored 'General case' 0 CA--C 1.459 -2.541 0 CA-C-O 113.724 -3.036 . . . . 0.0 111.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.667 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.8 mttt -107.69 134.82 50.12 Favored 'General case' 0 C--O 1.183 -2.443 0 O-C-N 127.554 3.034 . . . . 0.0 117.39 -170.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.82 -10.67 77.27 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-O 114.498 -3.39 . . . . 0.0 120.175 -168.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.657 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.4 -42.9 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 123.956 3.878 . . . . 0.0 120.542 -168.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.7 t -67.69 155.88 38.2 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 118.08 -2.888 . . . . 0.0 108.101 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.866 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -97.26 -38.64 9.6 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.966 168.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 88.6 t80 -141.68 138.02 32.16 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.632 HD22 ' HD2' ' A' ' 54' ' ' PHE . 68.6 tp -123.18 130.38 52.68 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 119.901 -1.75 . . . . 0.0 107.015 175.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.645 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 16.7 t0 -139.1 165.22 27.72 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.624 1.969 . . . . 0.0 112.793 166.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 97.6 mt-10 -74.27 172.64 11.46 Favored 'General case' 0 C--N 1.329 -0.307 1 O-C-N 115.376 -4.578 . . . . 0.0 113.668 167.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 58.4 t -98.68 129.05 49.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 116.544 -2.062 . . . . 0.0 109.62 152.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.808 ' HA ' ' H ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -86.19 71.91 10.46 Favored 'General case' 1 C--O 1.103 -6.637 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.768 155.542 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -99.83 23.75 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.398 1 C-N-CA 133.044 4.538 . . . . 0.0 104.967 114.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.808 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 74.4 p -63.37 -37.54 87.68 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.102 -0.998 . . . . 0.0 109.547 173.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.0 m -60.84 -44.15 97.36 Favored 'General case' 0 N--CA 1.423 -1.779 0 C-N-CA 115.446 -2.502 . . . . 0.0 113.366 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -72.58 -47.28 49.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 119.875 3.287 . . . . 0.0 119.875 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -128.96 -33.62 1.98 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -160.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HE2' ' CE1' ' A' ' 44' ' ' HIS . 88.6 tttt 50.34 55.08 10.02 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 128.659 2.784 . . . . 0.0 110.674 151.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 29.4 p-10 -139.95 -0.12 1.71 Allowed 'General case' 0 C--N 1.268 -2.967 0 O-C-N 116.743 -3.723 . . . . 0.0 115.716 163.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.626 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 72.3 m-85 -101.16 127.22 47.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.526 1.966 . . . . 0.0 109.792 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.66 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 83.0 mt -96.58 131.18 43.47 Favored 'General case' 0 C--O 1.208 -1.096 0 C-N-CA 128.194 2.597 . . . . 0.0 112.942 158.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -108.98 112.07 24.07 Favored 'General case' 0 N--CA 1.426 -1.643 0 O-C-N 119.679 -1.888 . . . . 0.0 107.44 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.604 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -132.06 127.14 35.51 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -168.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 82' ' ' ILE . 4.8 mp -116.58 128.18 55.17 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -159.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.69 ' CD2' HD23 ' A' ' 24' ' ' LEU . 36.2 m80 -97.12 128.34 43.94 Favored 'General case' 0 CA--C 1.48 -1.749 0 CA-C-O 116.791 -1.576 . . . . 0.0 107.792 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 81' ' ' ILE . 17.1 tt 29.01 66.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 128.207 3.442 . . . . 0.0 116.003 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.866 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.0 tt . . . . . 0 N--CA 1.509 2.524 0 C-N-CA 129.016 2.926 . . . . 0.0 116.42 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 5.8 mp -127.59 154.02 45.71 Favored 'General case' 0 C--O 1.207 -1.168 0 O-C-N 120.232 -1.542 . . . . 0.0 108.508 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 20' ' ' GLU . 96.2 t -122.82 125.72 72.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 124.606 1.191 . . . . 0.0 110.702 169.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.0 mt -88.94 139.77 30.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 123.291 1.52 . . . . 0.0 111.541 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.778 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -59.01 144.45 45.17 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.748 1.219 . . . . 0.0 109.295 166.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -61.92 -45.97 91.39 Favored 'General case' 0 C--O 1.199 -1.597 0 CA-C-O 117.077 -1.44 . . . . 0.0 111.851 160.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.58 -47.16 79.75 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 123.757 2.98 . . . . 0.0 115.136 -148.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 127.912 2.485 . . . . 0.0 115.828 174.493 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.15 -36.94 70.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.939 2.096 . . . . 0.0 113.647 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 25.1 pt-20 -58.38 -49.21 78.08 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 115.048 -2.406 . . . . 0.0 108.387 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 57' ' ' LYS . 77.8 mt -64.75 -45.26 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 123.632 2.923 . . . . 0.0 109.284 -161.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.08 -40.27 88.95 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 130.284 3.434 . . . . 0.0 114.417 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -65.78 -40.23 91.76 Favored 'General case' 0 CA--C 1.482 -1.637 0 O-C-N 124.999 1.437 . . . . 0.0 110.22 173.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 47.7 mt -59.11 -50.46 73.96 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -64.48 -51.19 64.3 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -69.1 -42.58 75.93 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 124.567 1.167 . . . . 0.0 111.283 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.5 -44.1 83.5 Favored 'General case' 0 CA--C 1.48 -1.744 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.6 t80 -57.94 -49.72 75.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -66.27 -40.45 90.11 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.723 1.209 . . . . 0.0 113.068 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -78.49 -44.52 24.28 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.995 1.318 . . . . 0.0 111.341 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.2 167.38 27.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.533 1.933 . . . . 0.0 113.696 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -122.62 126.51 47.81 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 117.981 -2.949 . . . . 0.0 114.312 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.78 ' HG2' ' H ' ' A' ' 34' ' ' SER . 28.5 ttm180 -172.26 -179.78 2.38 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 128.663 2.785 . . . . 0.0 112.827 -131.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 82.5 p -152.66 165.17 36.08 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 117.52 -3.237 . . . . 0.0 107.368 -176.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 pt -147.96 158.1 8.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 123.642 1.687 . . . . 0.0 109.385 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 81.9 m-85 -101.36 139.17 37.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.649 -2.069 . . . . 0.0 110.59 158.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 22.4 t80 -107.48 101.16 10.52 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 168.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.529 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -94.07 92.82 7.5 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 130.844 3.658 . . . . 0.0 105.44 -166.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.83 149.56 53.54 Favored Pre-proline 0 C--O 1.19 -2.055 0 CA-C-N 114.497 -1.229 . . . . 0.0 107.95 -160.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.7 Cg_endo -66.37 148.63 84.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-N 120.003 1.037 . . . . 0.0 114.128 -129.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -69.87 -37.2 76.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.8 1.762 . . . . 0.0 109.561 161.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.62 -39.55 80.75 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 127.465 2.306 . . . . 0.0 113.934 -158.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.264 . . -132.16 -16.62 2.79 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -174.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 47.38 39.74 9.57 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 124.891 1.276 . . . . 0.0 108.963 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -97.12 -48.09 5.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.444 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 92.7 m-20 -63.41 -36.86 85.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.677 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.4 ttp -64.44 -42.13 96.16 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 119.284 0.947 . . . . 0.0 112.794 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.07 -42.08 98.83 Favored 'General case' 0 C--N 1.345 0.391 0 O-C-N 121.646 -0.659 . . . . 0.0 110.651 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 98.2 mttt -66.14 -33.4 75.69 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.176 -1.392 . . . . 0.0 111.458 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -59.02 -40.67 85.68 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 124.137 0.898 . . . . 0.0 112.323 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.26 -45.49 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.826 -1.15 . . . . 0.0 108.712 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.37 -44.47 94.71 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.446 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 21.2 m-30 -64.96 -35.71 82.05 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-O 122.025 0.917 . . . . 0.0 113.339 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.858 ' HD2' HD22 ' A' ' 63' ' ' LEU . 18.6 m-30 -68.19 -35.27 77.74 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.867 -173.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -35.64 75.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 127.927 2.491 . . . . 0.0 113.556 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.76 -39.35 77.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 116.546 -1.693 . . . . 0.0 110.962 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -112.86 139.77 48.22 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.37 37.42 3.14 Favored Glycine 0 CA--C 1.563 3.089 0 N-CA-C 122.726 3.85 . . . . 0.0 122.726 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.0 m-70 -93.15 -35.11 13.34 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 124.001 3.9 . . . . 0.0 113.218 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t -66.09 150.19 49.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.77 12.57 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.378 -1.283 . . . . 0.0 107.833 167.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -157.76 154.24 27.85 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -169.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 54' ' ' PHE . 64.7 tp -129.61 137.03 50.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.895 1.278 . . . . 0.0 112.053 172.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.9 t0 -149.75 -179.98 7.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 165.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -82.48 169.98 15.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 119.29 -2.131 . . . . 0.0 112.348 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.012 HG23 ' H ' ' A' ' 69' ' ' SER . 27.8 m -77.4 166.96 2.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 125.603 3.819 . . . . 0.0 110.847 142.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -71.39 -34.34 70.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.524 3.53 . . . . 0.0 115.87 167.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.0 -3.1 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 118.839 -2.413 . . . . 0.0 110.799 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 1.012 ' H ' HG23 ' A' ' 66' ' ' VAL . 69.9 m -76.31 47.96 0.5 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 120.273 -1.517 . . . . 0.0 113.483 140.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.5 p -99.29 -56.48 2.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 132.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -71.33 -38.43 71.67 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 128.07 2.548 . . . . 0.0 112.013 -157.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.13 -22.74 2.81 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.68 1.192 . . . . 0.0 113.16 -168.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.13 50.27 13.91 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 113.986 -2.912 . . . . 0.0 113.707 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -117.48 -39.54 3.16 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 96.8 m-85 -106.72 122.09 45.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 124.117 0.886 . . . . 0.0 112.464 -171.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 93.0 mt -87.61 146.0 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.548 -0.72 . . . . 0.0 111.371 157.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 79' ' ' LEU . 33.9 t80 -108.08 112.68 25.35 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.186 0.594 . . . . 0.0 110.753 175.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.548 ' C ' HD12 ' A' ' 79' ' ' LEU . 67.4 tt0 -127.15 129.86 48.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.274 -173.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp -120.54 137.67 54.26 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -164.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.421 ' CE1' HD23 ' A' ' 24' ' ' LEU . 43.1 m170 -110.17 120.02 41.1 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 116.543 -1.694 . . . . 0.0 107.568 -167.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt 57.89 -32.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 -164.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 82' ' ' ILE . 91.4 mt . . . . . 0 N--CA 1.497 1.905 0 CA-C-N 123.167 2.712 . . . . 0.0 113.312 -166.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -130.69 166.07 21.51 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.327 172.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.533 ' HB ' ' CD2' ' A' ' 37' ' ' TYR . 79.5 t -121.43 145.02 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.622 161.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.9 mt -118.28 140.78 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -63.29 159.09 18.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.867 2.067 . . . . 0.0 112.522 166.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.46 -14.1 24.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 118.304 -2.748 . . . . 0.0 118.008 174.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.528 HD22 ' HG3' ' A' ' 40' ' ' PRO . 97.9 m-20 -67.24 -39.1 86.14 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 126.033 1.733 . . . . 0.0 107.891 -169.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.322 -0.587 0 O-C-N 125.155 1.534 . . . . 0.0 114.21 -163.28 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.242 0.687 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 m -98.49 -22.05 4.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 CA-C-O 115.781 -2.057 . . . . 0.0 108.62 169.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.788 ' O ' HD13 ' A' ' 24' ' ' LEU . 24.8 pt-20 -63.11 -36.42 83.54 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 115.11 -2.636 . . . . 0.0 108.172 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.077 HD22 ' HE3' ' A' ' 57' ' ' LYS . 98.8 mt -63.86 -50.23 69.64 Favored 'General case' 0 N--CA 1.438 -1.037 1 O-C-N 115.179 -4.701 . . . . 0.0 113.981 -178.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.26 -38.9 91.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.745 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.66 -36.67 78.87 Favored 'General case' 0 CA--C 1.482 -1.646 0 C-N-CA 119.949 -0.701 . . . . 0.0 109.362 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 20' ' ' GLU . 11.2 mp -58.63 -59.19 5.79 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.958 -1.973 . . . . 0.0 106.886 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -59.67 -41.62 91.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 116.944 -1.903 . . . . 0.0 107.769 -163.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.46 -35.13 11.82 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.273 -1.785 . . . . 0.0 114.136 -162.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.846 ' OE1' HD11 ' A' ' 35' ' ' ILE . 94.2 mt-10 -60.47 -38.01 82.85 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.741 ' HE2' HD11 ' A' ' 81' ' ' ILE . 12.2 t80 -58.46 -49.8 76.01 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 127.908 2.483 . . . . 0.0 113.793 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -73.66 -33.52 64.52 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 116.293 -1.813 . . . . 0.0 115.831 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -82.98 -39.97 20.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 126.765 2.541 . . . . 0.0 114.253 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.03 166.24 33.89 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -109.62 120.51 42.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 117.242 -1.783 . . . . 0.0 112.092 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HG2' ' N ' ' A' ' 34' ' ' SER . 33.2 ttm180 -152.09 173.14 15.28 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 121.984 2.175 . . . . 0.0 110.361 -146.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.571 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 50.1 m -125.34 167.47 14.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 119.693 -1.88 . . . . 0.0 109.783 157.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.846 HD11 ' OE1' ' A' ' 27' ' ' GLU . 83.1 mt -131.4 153.47 38.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 C-N-CA 125.878 1.671 . . . . 0.0 111.602 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 5' ' ' LEU . 54.4 p90 -114.57 151.78 32.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 124.2 1.952 . . . . 0.0 113.767 148.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 86.4 m-85 -116.62 124.74 50.52 Favored 'General case' 0 C--O 1.203 -1.349 0 O-C-N 120.798 -1.189 . . . . 0.0 108.405 -171.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 7' ' ' LEU . 63.4 t80 -105.97 94.8 5.37 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.485 1.914 . . . . 0.0 113.56 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 46' ' ' ASP . . . -138.91 144.82 42.95 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 10' ' ' ASN . 65.6 Cg_endo -69.96 153.45 68.02 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 -113.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 m -70.58 -39.84 73.62 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 170.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.67 -44.89 84.89 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -25.27 8.46 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.423 ' H ' ' HG2' ' A' ' 40' ' ' PRO . 95.3 m-70 54.7 40.88 32.17 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 120.339 -1.476 . . . . 0.0 110.359 -174.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -99.82 -56.37 2.4 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 117.26 2.319 . . . . 0.0 117.26 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -60.67 -34.65 74.64 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 125.441 1.713 . . . . 0.0 107.882 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.516 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.3 ttp -67.28 -45.1 77.61 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 tp -57.15 -44.14 83.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.284 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.95 -33.06 71.61 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.11 0.964 . . . . 0.0 112.594 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.1 86.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.186 0.993 . . . . 0.0 113.095 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.0 t -55.94 -44.35 77.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.214 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.18 -41.84 94.2 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.491 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 20.0 m-30 -58.43 -39.87 80.99 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.249 0.968 . . . . 0.0 112.056 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.952 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.1 m-30 -73.51 -37.34 65.71 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -157.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.61 -42.54 67.54 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-N 111.667 -2.515 . . . . 0.0 110.665 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -41.21 90.75 Favored 'General case' 1 C--N 1.231 -4.565 0 CA-C-N 125.922 3.965 . . . . 0.0 110.701 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 1.077 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.3 mmtt -66.97 -61.46 1.93 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 119.409 3.114 . . . . 0.0 119.409 -165.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.18 12.57 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 128.742 3.068 . . . . 0.0 118.358 -160.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 36.7 m170 -120.97 7.21 10.35 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -110.45 -140.78 0.38 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 -146.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.12 -66.27 0.71 Allowed 'General case' 0 C--O 1.164 -3.41 1 N-CA-C 98.743 -4.54 . . . . 0.0 98.743 126.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -130.59 155.73 46.04 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 125.412 1.695 . . . . 0.0 110.702 -161.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 54' ' ' PHE . 51.9 tp -126.36 128.38 46.98 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 167.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -116.03 170.41 8.51 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 126.275 1.83 . . . . 0.0 112.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 24.0 pt-20 -81.22 166.69 20.36 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.296 -1.503 . . . . 0.0 112.271 160.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 77' ' ' TYR . 76.6 t -103.74 130.79 53.67 Favored 'Isoleucine or valine' 0 C--O 1.265 1.88 0 CA-C-O 113.975 -2.917 . . . . 0.0 116.579 153.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.545 ' HA ' ' H ' ' A' ' 69' ' ' SER . 79.8 mtt85 -81.65 59.95 4.39 Favored 'General case' 0 C--O 1.192 -1.938 1 C-N-CA 132.003 4.121 . . . . 0.0 116.083 161.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.69 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.3 m -107.66 26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 1 O-C-N 115.734 -4.354 . . . . 0.0 106.893 123.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.562 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 59.3 p -67.82 -35.24 78.25 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.823 2.449 . . . . 0.0 113.24 -176.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -61.74 -41.8 98.13 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.995 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -73.86 -45.84 48.6 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -113.96 -50.8 2.81 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.283 -2.76 . . . . 0.0 108.064 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 63.1 tttp 61.94 25.05 15.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 129.071 2.949 . . . . 0.0 112.084 -172.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -93.22 -16.7 24.52 Favored 'General case' 0 CA--C 1.49 -1.331 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -109.67 118.07 35.58 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 122.168 0.985 . . . . 0.0 109.453 -162.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 82.6 mt -107.27 147.39 30.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 124.012 0.925 . . . . 0.0 110.27 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 66' ' ' VAL . 59.8 t80 -125.25 101.43 6.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.025 -152.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.677 ' C ' HD12 ' A' ' 79' ' ' LEU . 47.9 tt0 -120.08 147.78 44.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 120.436 1.471 . . . . 0.0 107.569 -167.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 82' ' ' ILE . 3.0 mp -127.33 133.64 50.07 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 35' ' ' ILE . 66.1 m80 -113.17 116.48 29.89 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.864 1.266 . . . . 0.0 108.091 -170.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 81' ' ' ILE . 30.3 mm 49.27 44.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -168.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.015 ' CD1' HD23 ' A' ' 79' ' ' LEU 0.279 18.5 tt . . . . . 0 C--O 1.247 0.937 1 CA-C-O 110.53 -4.557 . . . . 0.0 113.916 -170.317 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.548 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.0 mttt . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -121.49 160.62 23.83 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 119.739 -1.851 . . . . 0.0 107.349 -169.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 20' ' ' GLU . 87.7 t -137.9 117.22 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 112.094 -2.321 . . . . 0.0 105.833 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.2 mt -94.95 141.41 28.68 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 123.142 1.448 . . . . 0.0 110.283 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.703 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -68.76 148.66 50.02 Favored 'General case' 0 C--O 1.26 1.609 0 C-N-CA 126.704 2.002 . . . . 0.0 113.983 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -80.75 -15.95 55.12 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 117.627 -3.17 . . . . 0.0 113.09 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.449 HD22 ' HG3' ' A' ' 40' ' ' PRO . 91.0 m-20 -62.99 -40.49 97.9 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 123.294 2.77 . . . . 0.0 105.308 -169.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p . . . . . 0 CA--C 1.493 -1.213 0 C-N-CA 119.378 -0.929 . . . . 0.0 113.271 -167.823 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -59.92 -27.76 39.29 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.181 0 O-C-N 126.965 2.665 . . . . 0.0 113.276 -167.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.928 ' HB2' HG11 ' A' ' 6' ' ' VAL . 25.6 tp10 -56.94 -45.32 82.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 117.493 -1.683 . . . . 0.0 113.28 168.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD22 ' HE3' ' A' ' 57' ' ' LYS . 95.6 mt -60.86 -47.56 85.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 119.819 -1.801 . . . . 0.0 110.705 -174.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.22 -38.85 91.72 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.253 1.021 . . . . 0.0 112.8 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -38.72 89.1 Favored 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 116.718 -1.611 . . . . 0.0 110.951 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' CE1' ' A' ' 80' ' ' HIS . 32.6 mt -53.79 -56.12 20.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.136 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 82.2 t80 -63.33 -46.67 85.55 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.322 -174.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -76.3 -40.23 52.08 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.55 -43.13 99.56 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 124.433 1.093 . . . . 0.0 108.985 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.622 ' HE2' HG13 ' A' ' 81' ' ' ILE . 23.5 t80 -60.64 -49.84 75.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -65.65 -40.49 92.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.126 -1.892 . . . . 0.0 111.516 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.31 -51.95 9.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.756 1.285 . . . . 0.0 109.657 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -128.54 157.51 41.0 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 126.268 1.827 . . . . 0.0 107.865 -157.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.97 103.68 11.64 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 162.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -160.13 159.3 31.6 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -139.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.773 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 96.8 p -129.88 155.23 46.36 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.12 -169.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 15.6 pt -126.31 156.98 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 120.792 1.633 . . . . 0.0 110.48 -174.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 54.7 m-85 -102.78 123.28 46.15 Favored 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 120.639 3.57 . . . . 0.0 120.639 149.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 54.4 t80 -109.48 98.2 7.63 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 -160.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HB3' HD23 ' A' ' 7' ' ' LEU . 25.3 t80 -95.49 94.42 7.78 Favored 'General case' 0 C--O 1.25 1.093 0 C-N-CA 130.179 3.392 . . . . 0.0 106.826 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 8' ' ' ALA . . . -144.58 142.95 19.96 Favored Pre-proline 0 CA--C 1.496 -1.123 0 C-N-CA 125.784 1.634 . . . . 0.0 113.832 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HG3' HD22 ' A' ' 10' ' ' ASN . 88.8 Cg_endo -68.79 156.34 65.77 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 114.411 -3.26 . . . . 0.0 109.266 -121.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.0 m -67.21 -37.2 83.24 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 125.6 1.812 . . . . 0.0 115.221 161.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.44 -41.7 55.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 127.507 2.323 . . . . 0.0 114.75 -173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.96 -26.89 10.49 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.675 -1.21 . . . . 0.0 112.837 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.605 ' ND1' ' HE2' ' A' ' 73' ' ' LYS . 14.6 t60 61.61 22.35 12.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.042 2.537 . . . . 0.0 112.751 -170.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -97.36 -52.89 3.64 Favored 'General case' 0 CA--C 1.468 -2.199 0 O-C-N 120.901 -1.125 . . . . 0.0 111.599 -157.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.703 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 89.3 m-20 -59.34 -35.86 74.64 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 126.478 2.361 . . . . 0.0 109.291 170.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.1 ttm -68.58 -40.91 80.34 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.9 -43.94 94.53 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.6 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 99.2 mttt -63.48 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.465 1.106 . . . . 0.0 112.647 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -56.68 -48.37 77.79 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.3 -43.87 94.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -67.93 -40.17 83.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 118.461 -2.649 . . . . 0.0 114.838 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 7.2 m-30 -61.04 -45.16 95.91 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 121.758 -0.588 . . . . 0.0 112.277 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.802 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.6 m-30 -60.58 -46.03 91.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 -165.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.8 -43.58 98.57 Favored 'General case' 0 CA--C 1.492 -1.286 0 O-C-N 126.465 2.353 . . . . 0.0 110.184 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.01 -42.15 79.81 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.556 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HE3' HD22 ' A' ' 21' ' ' LEU . 71.6 mmtt -61.73 -65.81 0.63 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.81 38.2 20.59 Favored Glycine 0 CA--C 1.557 2.666 0 N-CA-C 120.843 3.097 . . . . 0.0 120.843 -156.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HD1' ' A' ' 25' ' ' TYR . 95.6 m-70 -106.3 -34.1 7.57 Favored 'General case' 0 N--CA 1.511 2.59 0 CA-C-N 123.585 3.693 . . . . 0.0 118.088 160.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.1 t -67.46 153.38 43.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.689 1.596 . . . . 0.0 108.243 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB2' ' HA ' ' A' ' 81' ' ' ILE . . . -89.82 -39.88 12.81 Favored 'General case' 0 N--CA 1.426 -1.66 0 O-C-N 120.38 -1.45 . . . . 0.0 108.751 171.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 78.9 t80 -149.37 152.52 35.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.623 1.827 . . . . 0.0 111.919 -170.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.802 HD22 ' HD2' ' A' ' 54' ' ' PHE . 60.8 tp -133.45 137.91 45.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.732 1.213 . . . . 0.0 109.688 169.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 39.6 t0 -145.54 161.19 40.36 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 128.136 2.575 . . . . 0.0 114.921 172.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -72.32 161.73 30.45 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 118.049 -2.907 . . . . 0.0 109.132 168.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.834 HG12 ' H ' ' A' ' 68' ' ' VAL . 56.1 t -91.04 133.58 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 150.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.53 ' HA ' ' H ' ' A' ' 69' ' ' SER . 30.9 mmt180 -85.21 63.72 8.26 Favored 'General case' 0 C--O 1.198 -1.645 0 O-C-N 119.35 -2.094 . . . . 0.0 114.353 152.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.834 ' H ' HG12 ' A' ' 66' ' ' VAL . 19.3 m -99.12 19.17 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.514 -1.991 . . . . 0.0 107.076 128.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.53 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 94.1 p -62.19 -48.88 78.09 Favored 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 127.197 2.199 . . . . 0.0 105.934 -170.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -62.51 -39.61 94.09 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.94 -40.12 68.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -131.35 -35.14 1.35 Allowed 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -167.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.662 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 86.0 tttt 59.28 39.57 22.37 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 130.074 3.35 . . . . 0.0 118.589 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -135.07 -7.05 2.34 Favored 'General case' 0 C--N 1.288 -2.074 1 O-C-N 115.322 -4.611 . . . . 0.0 115.707 -167.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 36' ' ' PHE . 40.2 m-85 -101.87 117.51 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 126.0 2.063 . . . . 0.0 114.084 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 56.8 mt -78.58 141.31 38.18 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.61 145.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.672 ' CD2' HD11 ' A' ' 79' ' ' LEU . 25.1 t80 -95.29 98.8 10.86 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 128.332 2.653 . . . . 0.0 108.178 171.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.762 ' C ' HD12 ' A' ' 79' ' ' LEU . 84.5 tt0 -119.91 121.33 38.78 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 122.307 2.321 . . . . 0.0 111.391 -174.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.773 ' HG ' ' HB2' ' A' ' 34' ' ' SER . 4.8 mp -121.37 134.51 55.12 Favored 'General case' 0 CA--C 1.487 -1.453 0 O-C-N 119.159 -2.213 . . . . 0.0 109.541 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.666 ' CE1' HD23 ' A' ' 24' ' ' LEU . 30.2 m170 -113.2 125.24 54.12 Favored 'General case' 0 CA--C 1.481 -1.687 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.031 -160.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.937 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 32.5 mm 0.55 98.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -138.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 168.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' ILE . 97.7 mttt . . . . . 0 C--O 1.207 -1.137 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 36' ' ' PHE . 51.6 tp -113.22 132.54 55.47 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 120.348 1.431 . . . . 0.0 113.093 -163.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 1.0 HG21 ' OE1' ' A' ' 20' ' ' GLU . 61.9 t -105.35 137.39 35.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 171.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.4 mt -107.53 141.39 39.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.74 1.733 . . . . 0.0 106.7 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -55.79 148.32 16.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.601 1.961 . . . . 0.0 111.342 163.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -61.75 -48.05 82.42 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-O 115.87 -2.014 . . . . 0.0 112.243 163.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.83 -42.23 67.22 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 121.605 2.002 . . . . 0.0 113.548 -149.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 40' ' ' PRO . 52.8 m . . . . . 0 C--N 1.305 -1.328 0 O-C-N 125.357 1.66 . . . . 0.0 111.514 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.53 3.55 0 CA-C-O 118.315 -0.85 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.96 -33.44 55.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 O-C-N 124.532 1.145 . . . . 0.0 111.166 -167.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 1.0 ' OE1' HG21 ' A' ' 6' ' ' VAL . 42.2 tp10 -64.02 -46.85 82.63 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.45 -47.36 85.79 Favored 'General case' 0 C--O 1.184 -2.372 0 O-C-N 120.446 -1.409 . . . . 0.0 108.823 -171.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -65.64 -39.6 91.61 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.344 -2.741 . . . . 0.0 116.172 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.89 -34.63 77.03 Favored 'General case' 0 CA--C 1.475 -1.917 0 O-C-N 125.774 1.921 . . . . 0.0 106.581 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.2 mp -50.12 -65.63 0.53 Allowed 'General case' 0 C--O 1.187 -2.23 0 CA-C-O 114.833 -2.508 . . . . 0.0 106.595 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.94 -49.93 72.16 Favored 'General case' 0 C--N 1.384 2.105 1 O-C-N 129.97 4.544 . . . . 0.0 110.447 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -83.11 -36.0 25.17 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 117.189 -1.386 . . . . 0.0 113.161 -168.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.65 -38.79 92.44 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CE2' HG13 ' A' ' 81' ' ' ILE . 46.2 t80 -54.01 -59.88 4.06 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.456 174.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -63.87 -41.79 97.67 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 126.135 2.147 . . . . 0.0 106.653 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -76.2 -39.34 54.94 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 119.418 1.008 . . . . 0.0 112.939 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -153.65 169.33 23.55 Favored 'General case' 0 C--N 1.286 -2.159 0 C-N-CA 125.904 1.682 . . . . 0.0 112.007 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' A' ' 81' ' ' ILE . 99.4 mttt -118.81 124.01 46.16 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 118.665 -2.522 . . . . 0.0 116.116 172.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HG2' ' H ' ' A' ' 34' ' ' SER . 44.9 ttp180 -176.39 165.98 2.74 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 118.396 -2.69 . . . . 0.0 112.945 -139.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.531 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 41.2 t -155.9 136.68 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 117.964 -2.96 . . . . 0.0 108.575 -148.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.809 HD12 ' ND1' ' A' ' 80' ' ' HIS . 96.5 mt -140.74 150.84 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.614 -135.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' O ' HD12 ' A' ' 5' ' ' LEU . 78.2 m-85 -113.4 136.37 52.85 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.8 t80 -107.36 123.91 49.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 41.3 t80 -107.47 97.85 7.54 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 127.862 2.465 . . . . 0.0 110.404 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -139.67 149.9 61.27 Favored Pre-proline 0 N--CA 1.441 -0.915 0 C-N-CA 126.793 2.037 . . . . 0.0 114.554 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -74.85 150.86 39.56 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 116.038 -2.174 . . . . 0.0 116.179 -119.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.7 m -62.3 -48.53 79.44 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.9 -38.68 69.9 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 111.566 -2.561 . . . . 0.0 112.579 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.05 -26.87 9.48 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 118.437 2.754 . . . . 0.0 118.437 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 57.53 34.98 25.3 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.244 2.217 . . . . 0.0 110.137 -171.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -101.23 -54.82 2.69 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.842 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 80.7 m-20 -60.71 -37.11 80.57 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 116.582 -1.675 . . . . 0.0 107.084 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.428 ' HG3' HD11 ' A' ' 76' ' ' LEU . 51.8 ttm -67.45 -43.61 80.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 120.821 1.646 . . . . 0.0 113.605 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.87 -41.34 91.33 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -38.81 92.52 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 118.242 -0.885 . . . . 0.0 113.089 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -56.58 -42.04 77.99 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.168 0.987 . . . . 0.0 112.709 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.28 -44.44 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 117.796 -1.562 . . . . 0.0 111.884 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.82 -39.44 80.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.21 -41.5 99.15 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.822 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.4 m-30 -61.83 -43.97 97.78 Favored 'General case' 0 C--O 1.16 -3.654 0 O-C-N 124.748 1.28 . . . . 0.0 110.964 -166.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.91 -37.48 78.97 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 113.33 -3.224 . . . . 0.0 110.874 175.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.23 -37.03 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 121.503 1.956 . . . . 0.0 109.825 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' A' ' 59' ' ' HIS . 99.5 mttt -107.28 152.1 24.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 174.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.85 -12.55 84.06 Favored Glycine 0 C--O 1.194 -2.381 0 C-N-CA 130.071 3.7 . . . . 0.0 116.101 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 92.0 m-70 -65.43 -43.49 90.31 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 118.47 -2.782 . . . . 0.0 118.063 -164.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 6.7 t -65.3 161.34 19.72 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.91 -45.59 6.24 Favored 'General case' 0 N--CA 1.44 -0.971 0 O-C-N 120.279 -1.513 . . . . 0.0 109.862 164.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -134.88 157.58 46.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.414 -1.429 . . . . 0.0 112.6 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.831 HD13 ' OE1' ' A' ' 78' ' ' GLU . 61.8 tp -133.97 131.08 38.56 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.419 1.888 . . . . 0.0 112.987 168.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -138.83 165.78 26.14 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.105 -0.997 . . . . 0.0 112.293 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 21.4 pt-20 -68.17 165.14 18.88 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 165.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.9 t -105.34 129.84 57.54 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 CA-C-N 118.92 0.782 . . . . 0.0 111.671 156.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.476 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 82.7 mtt85 -87.38 58.7 5.11 Favored 'General case' 0 C--O 1.201 -1.482 0 C-N-CA 127.284 2.234 . . . . 0.0 115.166 165.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.607 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.5 m -108.42 22.68 4.05 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.612 0 O-C-N 119.417 -2.052 . . . . 0.0 107.476 132.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 5.0 p -66.6 -34.84 78.77 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 128.246 2.618 . . . . 0.0 111.404 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.6 p -57.58 -42.7 83.62 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 121.508 1.958 . . . . 0.0 108.854 170.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.15 -35.41 36.65 Favored 'General case' 0 C--O 1.224 -0.254 1 N-CA-C 122.383 4.216 . . . . 0.0 122.383 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -116.11 -47.14 2.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 126.071 2.107 . . . . 0.0 114.733 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 88.1 tttt 50.73 49.12 21.6 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 126.693 1.997 . . . . 0.0 110.949 -166.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.83 -10.28 8.27 Favored 'General case' 0 CA--C 1.494 -1.208 0 O-C-N 119.935 -1.728 . . . . 0.0 108.13 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 48.5 m-85 -109.74 125.25 52.48 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.593 1.187 . . . . 0.0 112.438 -164.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 47' ' ' MET . 95.2 mt -104.38 143.04 33.53 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.035 164.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 79' ' ' LEU . 38.4 t80 -111.43 105.67 14.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.134 1.445 . . . . 0.0 107.238 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.831 ' OE1' HD13 ' A' ' 63' ' ' LEU . 19.2 tp10 -98.41 144.46 27.76 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.881 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 78' ' ' GLU . 2.7 mp -130.74 120.27 23.58 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 122.386 2.357 . . . . 0.0 108.545 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.809 ' ND1' HD12 ' A' ' 35' ' ' ILE . 58.9 m80 -110.32 125.25 52.97 Favored 'General case' 0 CA--C 1.486 -1.496 0 CA-C-N 123.236 2.744 . . . . 0.0 108.624 -170.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 81' ' ' ILE . 19.9 mm 26.54 66.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -151.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 10.4 tp . . . . . 1 C--O 1.432 10.698 1 CA-C-O 111.27 -4.205 . . . . 0.0 111.209 173.185 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 119.074 -0.489 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -139.97 155.01 47.32 Favored 'General case' 0 N--CA 1.406 -2.635 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.893 HG11 ' HB2' ' A' ' 20' ' ' GLU . 92.2 t -126.53 123.64 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 O-C-N 127.127 2.767 . . . . 0.0 111.802 165.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 38' ' ' PHE . 64.2 mt -92.7 146.8 23.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.984 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.818 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . . . -60.57 148.06 39.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.159 2.584 . . . . 0.0 111.422 164.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.72 -49.02 76.7 Favored 'General case' 0 C--O 1.175 -2.816 0 O-C-N 125.621 1.826 . . . . 0.0 111.844 162.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HG3' ' A' ' 40' ' ' PRO . 62.3 t-20 -65.48 -45.94 81.72 Favored 'General case' 0 C--N 1.314 -0.976 1 O-C-N 116.15 -4.094 . . . . 0.0 117.053 -140.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 N--CA 1.436 -1.157 0 O-C-N 125.703 1.877 . . . . 0.0 115.393 175.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 121.563 0.697 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.23 -38.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 126.028 1.731 . . . . 0.0 115.263 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HB2' HG11 ' A' ' 6' ' ' VAL . 17.4 tp10 -56.67 -48.0 78.58 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-O 124.549 2.119 . . . . 0.0 110.174 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.56 -50.32 74.33 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.972 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.4 -39.36 92.1 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.841 -1.162 . . . . 0.0 111.709 176.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -69.76 -34.86 74.38 Favored 'General case' 0 CA--C 1.47 -2.102 0 O-C-N 126.907 2.63 . . . . 0.0 113.543 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.785 HD23 ' CE1' ' A' ' 80' ' ' HIS . 57.2 mt -54.54 -51.54 64.87 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 117.425 -1.71 . . . . 0.0 111.111 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 78.2 t80 -66.18 -46.66 76.55 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 124.295 1.038 . . . . 0.0 110.011 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -74.82 -39.46 61.65 Favored 'General case' 0 CA--C 1.481 -1.698 0 C-N-CA 118.048 -1.461 . . . . 0.0 114.148 -173.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.96 -42.01 97.41 Favored 'General case' 0 CA--C 1.475 -1.91 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.1 t80 -63.07 -46.73 86.06 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 117.78 -1.568 . . . . 0.0 115.07 -172.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -65.31 -48.49 72.92 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.69 -46.39 79.21 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 118.031 -1.468 . . . . 0.0 108.2 -166.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -148.01 162.9 38.42 Favored 'General case' 0 N--CA 1.412 -2.372 0 C-N-CA 126.634 1.974 . . . . 0.0 113.141 -157.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -120.49 124.32 45.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HG2' ' N ' ' A' ' 34' ' ' SER . 38.3 ttm180 -164.79 173.18 12.06 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 125.621 1.568 . . . . 0.0 115.102 -133.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.666 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 83.4 p -154.86 163.6 40.05 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 119.053 -2.28 . . . . 0.0 114.56 172.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.538 HD11 ' OE1' ' A' ' 78' ' ' GLU . 38.7 pt -136.22 152.26 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-O 122.102 0.953 . . . . 0.0 108.991 -163.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.6 m-85 -92.91 147.81 22.54 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 120.406 -1.434 . . . . 0.0 112.034 152.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' HD1' ' HB ' ' A' ' 6' ' ' VAL . 74.2 t80 -122.27 118.04 27.59 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.922 -1.111 . . . . 0.0 110.063 175.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 7' ' ' LEU . 67.5 t80 -100.33 96.44 7.44 Favored 'General case' 0 CA--C 1.474 -1.943 0 C-N-CA 127.432 2.293 . . . . 0.0 111.095 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -133.34 142.17 43.25 Favored Pre-proline 0 CA--C 1.485 -1.522 0 CA-C-O 117.599 -1.191 . . . . 0.0 113.272 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.818 ' HD2' ' CB ' ' A' ' 8' ' ' ALA . 22.1 Cg_exo -39.57 144.98 0.27 Allowed 'Trans proline' 0 C--N 1.4 3.252 2 O-C-N 133.274 6.407 . . . . 0.0 126.569 -143.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.4 m -66.96 -45.58 77.32 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 117.815 -1.554 . . . . 0.0 108.941 160.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.472 ' OD1' ' HB3' ' A' ' 40' ' ' PRO . 16.3 p-10 -78.55 -13.31 59.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 -165.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -120.02 -28.53 5.12 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 159.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 m80 58.44 34.97 24.42 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 128.243 2.617 . . . . 0.0 114.337 -163.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.7 tttt -98.27 -55.01 2.89 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.702 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.0 m-20 -60.01 -36.53 77.42 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 126.655 2.472 . . . . 0.0 107.689 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.421 ' HG3' HD11 ' A' ' 76' ' ' LEU . 63.5 ttp -64.15 -45.48 88.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.87 -42.69 90.05 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 122.667 1.222 . . . . 0.0 111.673 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 97.6 mttt -66.24 -35.43 80.4 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 125.518 1.527 . . . . 0.0 112.933 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -57.27 -43.63 83.24 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 125.065 1.478 . . . . 0.0 110.508 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.01 -48.0 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 122.042 0.925 . . . . 0.0 108.569 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.05 -44.28 89.57 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.977 1.311 . . . . 0.0 111.566 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.57 -39.11 72.94 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 124.908 1.38 . . . . 0.0 109.085 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HD2' HD13 ' A' ' 63' ' ' LEU . 6.9 m-85 -79.44 -32.19 42.69 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 -152.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.04 -44.43 72.69 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.32 -42.54 86.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 119.989 -0.685 . . . . 0.0 112.228 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.611 ' HB3' ' HD2' ' A' ' 59' ' ' HIS . 98.0 mttt -100.69 145.87 27.9 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 120.525 -1.359 . . . . 0.0 111.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.73 4.34 70.08 Favored Glycine 0 C--O 1.193 -2.434 0 C-N-CA 127.494 2.473 . . . . 0.0 112.918 -166.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.611 ' HD2' ' HB3' ' A' ' 57' ' ' LYS . 94.2 m-70 -91.7 10.54 27.86 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 117.01 -3.641 . . . . 0.0 113.485 -156.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 24' ' ' LEU . 61.7 p -111.64 -127.79 0.28 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.557 -156.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 79' ' ' LEU . . . -154.78 -49.99 0.09 Allowed 'General case' 0 CA--C 1.475 -1.921 0 O-C-N 116.428 -3.92 . . . . 0.0 104.029 142.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.951 ' HB2' HD21 ' A' ' 79' ' ' LEU . 67.7 m-85 -147.08 165.79 28.87 Favored 'General case' 0 C--N 1.351 0.636 1 O-C-N 129.587 4.304 . . . . 0.0 110.255 166.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.774 HD13 ' HD2' ' A' ' 54' ' ' PHE . 3.7 tt -132.66 144.57 50.42 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 160.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 63' ' ' LEU . 30.6 t0 -154.47 159.36 40.97 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 120.049 -1.657 . . . . 0.0 108.098 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.26 156.67 18.08 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 119.402 -2.062 . . . . 0.0 109.213 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.039 HG12 ' H ' ' A' ' 68' ' ' VAL . 59.5 t -61.01 144.84 13.27 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 O-C-N 118.188 -2.82 . . . . 0.0 112.466 136.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -87.29 66.69 9.3 Favored 'General case' 0 C--O 1.178 -2.708 1 O-C-N 114.981 -4.824 . . . . 0.0 119.988 139.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.039 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.7 m -107.69 10.21 9.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 117.563 -3.211 . . . . 0.0 106.966 123.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -64.07 -40.11 95.54 Favored 'General case' 0 C--O 1.186 -2.248 0 CA-C-O 123.203 1.477 . . . . 0.0 110.014 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.6 m -59.44 -41.21 89.1 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 119.088 -2.257 . . . . 0.0 111.308 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.38 -43.89 72.59 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 165.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -112.39 -34.15 5.97 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 119.302 3.075 . . . . 0.0 119.302 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 46.89 44.29 14.35 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 130.541 3.536 . . . . 0.0 119.09 -158.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.68 -43.35 6.84 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CE1' ' HD1' ' A' ' 38' ' ' PHE . 50.9 m-85 -109.98 109.04 19.49 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -160.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 89.7 mt -89.6 146.27 24.68 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -114.58 122.51 46.74 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.538 ' OE1' HD11 ' A' ' 35' ' ' ILE . 59.9 tt0 -119.08 130.1 55.43 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 120.875 -1.14 . . . . 0.0 111.589 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.951 HD21 ' HB2' ' A' ' 62' ' ' TYR . 2.3 pt? -111.29 130.82 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 118.744 -2.472 . . . . 0.0 107.553 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.785 ' CE1' HD23 ' A' ' 24' ' ' LEU . 11.0 m170 -106.84 118.61 37.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -174.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.964 ' O ' HG22 ' A' ' 82' ' ' ILE . 96.8 mt 59.45 -45.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.186 -2.239 0 CA-C-O 115.828 -2.035 . . . . 0.0 108.48 -171.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.195 -1.777 0 CA-C-N 125.415 3.734 . . . . 0.0 113.585 -168.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG2' HH21 ' A' ' 33' ' ' ARG . 98.8 mttt . . . . . 0 N--CA 1.435 -1.199 0 CA-C-O 115.556 -2.164 . . . . 0.0 105.959 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 pp -132.58 161.6 33.42 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.096 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.752 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -118.15 137.93 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 127.938 3.274 . . . . 0.0 105.108 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 38' ' ' PHE . 95.2 mt -112.86 147.47 36.92 Favored 'General case' 0 CA--C 1.485 -1.541 0 CA-C-N 120.455 1.479 . . . . 0.0 107.917 168.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -55.44 145.52 22.35 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.093 1.357 . . . . 0.0 110.859 170.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.22 -46.13 85.21 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.72 162.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -61.87 -48.8 78.91 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.089 1.768 . . . . 0.0 115.295 -148.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 178.419 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.939 0.876 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.662 HG23 HG13 ' A' ' 6' ' ' VAL . 31.6 m -69.85 -31.37 47.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.259 -171.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.752 ' OE1' HG21 ' A' ' 6' ' ' VAL . 29.4 tp10 -64.99 -42.46 94.49 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.805 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD22 ' HD2' ' A' ' 57' ' ' LYS . 92.0 mt -60.53 -47.52 85.8 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 121.506 1.957 . . . . 0.0 112.543 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.21 -41.27 98.22 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 113.604 -1.634 . . . . 0.0 111.631 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.82 -35.56 72.55 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 124.934 1.396 . . . . 0.0 112.293 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD23 ' HD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -58.19 -53.4 58.7 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.642 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -61.13 -49.62 76.52 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.946 0.899 . . . . 0.0 108.971 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.08 -41.0 59.69 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 115.958 -1.973 . . . . 0.0 113.05 -171.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 87.6 mt-10 -57.02 -46.35 82.43 Favored 'General case' 0 CA--C 1.462 -2.437 0 CA-C-N 120.444 1.475 . . . . 0.0 110.588 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -57.7 -64.79 0.78 Allowed 'General case' 0 C--O 1.3 3.757 0 O-C-N 126.169 2.168 . . . . 0.0 109.84 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -54.13 -43.81 70.83 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 125.29 1.436 . . . . 0.0 110.7 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.19 -45.35 63.59 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 125.466 1.729 . . . . 0.0 110.159 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -154.11 162.81 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.099 1.759 . . . . 0.0 114.583 -157.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -115.92 113.57 23.48 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 120.012 3.338 . . . . 0.0 120.012 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 16.3 ptm180 -167.49 169.72 11.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.502 1.121 . . . . 0.0 110.727 -141.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 72.1 p -137.52 156.98 47.5 Favored 'General case' 0 C--O 1.265 1.886 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.398 -160.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.656 HD12 ' CE1' ' A' ' 80' ' ' HIS . 75.9 mt -131.95 149.6 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 123.162 1.458 . . . . 0.0 110.99 -173.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' C ' HG22 ' A' ' 35' ' ' ILE . 33.1 m-85 -100.35 127.25 46.71 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.941 158.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -97.25 114.73 26.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.835 171.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.899 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -93.91 97.64 10.51 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 125.361 1.464 . . . . 0.0 109.617 172.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.763 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -136.21 147.34 60.03 Favored Pre-proline 0 C--O 1.208 -1.122 0 O-C-N 121.568 -0.708 . . . . 0.0 111.669 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.626 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 92.0 Cg_endo -61.05 150.53 83.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 117.031 1.897 . . . . 0.0 117.031 -131.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.0 m -72.27 -37.2 69.1 Favored 'General case' 0 C--O 1.205 -1.288 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 158.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.85 -43.17 84.32 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 126.257 1.823 . . . . 0.0 113.421 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.95 -22.99 13.04 Favored 'General case' 1 C--O 1.124 -5.526 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -169.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 67.9 -39.24 0.38 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 129.434 3.094 . . . . 0.0 115.336 -145.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.29 -47.89 83.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.353 1.861 . . . . 0.0 113.376 -132.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.724 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 84.1 m-20 -63.72 -37.27 86.73 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.0 ttp -64.3 -41.37 96.88 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 124.169 0.918 . . . . 0.0 108.927 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.96 -43.37 98.85 Favored 'General case' 0 C--O 1.205 -1.244 0 C-N-CA 123.73 0.812 . . . . 0.0 111.684 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -37.79 87.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.938 1.295 . . . . 0.0 111.944 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.57 90.47 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.64 -44.1 84.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 CA-C-O 124.216 1.96 . . . . 0.0 107.159 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.2 -39.78 78.43 Favored 'General case' 0 CA--C 1.475 -1.904 0 O-C-N 118.958 -2.338 . . . . 0.0 113.965 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -58.8 -40.64 84.66 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.998 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.8 m-85 -74.11 -34.21 63.85 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.64 1.21 . . . . 0.0 109.415 -162.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.07 -35.24 76.31 Favored 'General case' 0 C--O 1.204 -1.329 0 C-N-CA 127.427 2.291 . . . . 0.0 114.34 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.73 -43.39 98.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 120.639 1.563 . . . . 0.0 114.133 168.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.627 ' HD2' HD22 ' A' ' 21' ' ' LEU . 99.3 mttt -121.98 134.41 54.82 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.05 -2.65 62.51 Favored Glycine 0 C--O 1.22 -0.755 0 C-N-CA 130.607 3.956 . . . . 0.0 119.5 -159.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.555 ' HB2' HD22 ' A' ' 24' ' ' LEU . 98.2 m-70 -77.63 -38.26 48.33 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-N 123.247 3.523 . . . . 0.0 117.679 -165.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 10.0 t -69.24 151.24 46.53 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 119.002 -2.311 . . . . 0.0 111.162 -177.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.82 -38.51 18.07 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 101.066 -3.679 . . . . 0.0 101.066 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.61 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 53.9 t80 -158.67 158.6 34.08 Favored 'General case' 0 N--CA 1.412 -2.358 0 O-C-N 125.069 1.481 . . . . 0.0 111.541 -175.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.045 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -131.07 130.85 43.74 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.61 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 45.4 t0 -143.88 163.77 32.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 119.754 1.161 . . . . 0.0 111.196 174.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.19 167.54 17.64 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 118.784 -2.447 . . . . 0.0 109.897 170.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.585 HG21 ' CG2' ' A' ' 68' ' ' VAL . 33.0 m -70.29 152.98 8.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 34.1 mmt180 -92.03 57.35 3.1 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-N 120.822 1.646 . . . . 0.0 113.416 140.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.585 ' CG2' HG21 ' A' ' 66' ' ' VAL . 33.3 m -102.7 19.94 3.22 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.55 0 O-C-N 117.095 -3.503 . . . . 0.0 107.781 127.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 79.1 p -66.01 -39.57 90.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 118.589 -2.569 . . . . 0.0 111.97 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -62.01 -43.03 99.71 Favored 'General case' 0 C--O 1.17 -3.103 0 O-C-N 124.477 1.111 . . . . 0.0 109.408 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -74.29 -43.22 57.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -120.84 -53.46 2.07 Favored 'General case' 0 CA--C 1.472 -2.046 0 O-C-N 126.398 2.311 . . . . 0.0 106.487 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 17.8 tppt? 51.88 47.07 25.5 Favored 'General case' 0 C--O 1.191 -1.977 0 CA-C-O 124.17 1.938 . . . . 0.0 112.209 -171.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -102.94 -31.89 10.02 Favored 'General case' 0 N--CA 1.484 1.269 1 O-C-N 114.847 -4.908 . . . . 0.0 110.881 162.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 48.4 m-85 -112.92 126.18 55.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.092 1.425 . . . . 0.0 109.289 -147.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 84.6 mt -93.67 138.32 32.02 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.63 -2.077 . . . . 0.0 113.807 155.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.782 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.2 t80 -106.35 114.4 28.49 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.644 ' C ' HD12 ' A' ' 79' ' ' LEU . 48.0 tt0 -135.4 124.76 24.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -167.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.782 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.9 mp -118.32 137.42 53.09 Favored 'General case' 0 CA--C 1.488 -1.433 0 O-C-N 119.879 -1.763 . . . . 0.0 106.393 -160.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.656 ' CE1' HD12 ' A' ' 35' ' ' ILE . 61.4 m80 -118.63 116.21 26.14 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 118.897 0.771 . . . . 0.0 111.504 -165.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.748 HG22 ' O ' ' A' ' 81' ' ' ILE . 25.7 mm 46.03 55.23 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -161.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 82' ' ' ILE . 59.1 mt . . . . . 0 C--O 1.298 3.652 0 O-C-N 117.86 -3.025 . . . . 0.0 116.996 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.0 mttt . . . . . 0 N--CA 1.429 -1.522 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -122.78 156.09 35.21 Favored 'General case' 0 CA--C 1.484 -1.569 0 C-N-CA 116.564 -2.055 . . . . 0.0 110.547 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.994 HG11 ' HB3' ' A' ' 20' ' ' GLU . 67.7 t -121.32 146.52 26.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 126.444 2.34 . . . . 0.0 108.276 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' A' ' 38' ' ' PHE . 96.8 mt -116.5 134.9 54.32 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 119.484 -2.01 . . . . 0.0 105.919 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -56.93 143.86 36.01 Favored 'General case' 0 N--CA 1.411 -2.392 0 C-N-CA 129.856 3.262 . . . . 0.0 107.384 162.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.09 -46.02 90.95 Favored 'General case' 0 CA--C 1.565 1.52 0 O-C-N 127.542 3.026 . . . . 0.0 111.199 165.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.03 -43.69 94.81 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 115.646 -2.422 . . . . 0.0 108.511 -136.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.546 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.421 -1.91 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.43 -47.15 88.87 Favored 'Isoleucine or valine' 0 C--N 1.371 1.518 0 O-C-N 126.922 2.639 . . . . 0.0 116.387 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 1.059 ' O ' HD13 ' A' ' 24' ' ' LEU . 23.8 pt-20 -60.82 -46.35 90.89 Favored 'General case' 1 C--O 1.105 -6.525 0 CA-C-O 124.842 2.258 . . . . 0.0 111.87 179.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 96.5 mt -63.72 -44.28 94.07 Favored 'General case' 0 N--CA 1.487 1.407 1 O-C-N 113.567 -5.708 . . . . 0.0 107.854 -176.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -78.39 -33.4 48.84 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.947 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -63.4 -35.23 79.74 Favored 'General case' 0 CA--C 1.463 -2.383 0 O-C-N 120.845 -1.159 . . . . 0.0 108.787 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 20' ' ' GLU . 9.2 mp -65.27 -45.85 82.82 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 117.133 -3.479 . . . . 0.0 108.361 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.464 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 64.0 m-85 -58.96 -50.92 72.25 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -74.91 -43.78 52.36 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 116.836 -1.946 . . . . 0.0 114.348 -159.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.982 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 64.0 mt-10 -64.65 -45.12 88.1 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 126.153 2.158 . . . . 0.0 105.625 -172.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.801 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -53.15 -61.2 2.45 Favored 'General case' 1 C--O 1.31 4.289 0 C-N-CA 124.397 1.079 . . . . 0.0 110.8 177.524 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -57.94 -45.81 86.04 Favored 'General case' 0 CA--C 1.487 -1.469 0 O-C-N 126.294 2.246 . . . . 0.0 111.585 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -80.41 -41.11 25.14 Favored 'General case' 0 CA--C 1.483 -1.633 0 O-C-N 126.327 2.267 . . . . 0.0 111.94 -173.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.714 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 6.1 p30 -148.18 171.51 15.8 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.955 -1.09 . . . . 0.0 111.172 -171.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -119.64 115.81 24.71 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 171.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.982 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ptm180 -165.3 168.29 17.05 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.701 -1.249 . . . . 0.0 107.837 -137.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.924 ' CB ' HD23 ' A' ' 79' ' ' LEU . 91.1 p -127.83 161.34 29.24 Favored 'General case' 0 C--N 1.275 -2.673 0 O-C-N 119.008 -2.307 . . . . 0.0 105.436 -178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.689 HD11 ' OE1' ' A' ' 78' ' ' GLU . 31.5 pt -133.52 160.31 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 127.774 2.43 . . . . 0.0 112.995 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 26.9 m-85 -107.94 118.23 36.22 Favored 'General case' 0 CA--C 1.481 -1.71 0 C-N-CA 129.894 3.278 . . . . 0.0 106.158 168.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -97.77 126.14 42.96 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' HB2' HD23 ' A' ' 7' ' ' LEU . 93.8 m-85 -106.61 116.61 32.23 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -155.68 140.36 11.97 Favored Pre-proline 0 CA--C 1.485 -1.531 0 O-C-N 126.154 2.159 . . . . 0.0 115.305 -176.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 86.4 Cg_endo -69.14 148.96 70.27 Favored 'Trans proline' 1 CA--C 1.62 4.809 0 C-N-CA 116.51 -1.86 . . . . 0.0 116.888 -119.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 72' ' ' GLU . 58.6 m -63.69 -43.98 95.05 Favored 'General case' 1 C--N 1.439 4.481 0 O-C-N 125.015 1.447 . . . . 0.0 108.317 167.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.4 -43.93 97.66 Favored 'General case' 0 N--CA 1.503 2.213 1 C-N-CA 132.376 4.27 . . . . 0.0 118.537 -170.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.12 -20.01 12.08 Favored 'General case' 0 CA--C 1.481 -1.684 0 N-CA-C 119.581 3.178 . . . . 0.0 119.581 173.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.5 m80 54.27 39.26 30.68 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.879 0.872 . . . . 0.0 112.962 -167.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.57 -50.81 2.83 Favored 'General case' 0 CA--C 1.474 -1.956 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.5 -167.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.74 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.7 m-20 -60.69 -37.65 82.34 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 115.303 -2.559 . . . . 0.0 111.368 171.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 1.078 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.4 ttp -61.81 -43.59 98.54 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 119.107 3.003 . . . . 0.0 119.107 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.53 -40.1 93.45 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.004 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.9 mttt -63.75 -37.13 86.21 Favored 'General case' 0 C--O 1.199 -1.561 0 O-C-N 124.072 0.858 . . . . 0.0 111.941 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -59.49 -41.49 89.94 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.16 -49.13 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 99.3 m-20 -64.71 -46.89 80.38 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.312 1.445 . . . . 0.0 111.038 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 23.1 m-30 -65.51 -44.65 86.32 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 115.188 -2.605 . . . . 0.0 117.512 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' HD2' HD22 ' A' ' 63' ' ' LEU . 14.9 m-30 -63.07 -33.56 75.7 Favored 'General case' 0 CA--C 1.477 -1.834 0 O-C-N 128.274 3.484 . . . . 0.0 107.206 -170.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.96 -40.63 78.8 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 98.3 mt-10 -52.75 -28.61 22.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -116.62 150.07 38.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 128.825 2.85 . . . . 0.0 115.913 176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.08 -10.7 86.03 Favored Glycine 0 CA--C 1.491 -1.414 0 O-C-N 126.295 2.247 . . . . 0.0 116.295 -171.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.476 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 99.3 m-70 -62.06 -44.79 95.92 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -170.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.438 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 11.5 t -67.01 153.27 44.07 Favored 'General case' 0 N--CA 1.408 -2.571 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.52 -48.61 5.2 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 128.854 2.862 . . . . 0.0 108.476 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -143.06 148.02 36.01 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 ' HD2' ' A' ' 54' ' ' PHE . 58.4 tp -125.65 143.96 50.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 157.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -150.47 -176.57 5.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 118.685 0.675 . . . . 0.0 109.299 168.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.01 167.37 16.95 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 116.741 -3.725 . . . . 0.0 104.329 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 94.9 t -93.05 142.02 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.566 139.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 28.3 mmt180 -84.94 19.14 2.2 Favored 'General case' 1 C--O 1.147 -4.293 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 22.2 m -82.72 2.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.97 0 O-C-N 118.466 -2.647 . . . . 0.0 104.484 146.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 98.7 p -64.68 -42.45 95.34 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 101.75 -3.426 . . . . 0.0 101.75 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -60.06 -38.85 84.03 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 124.687 1.242 . . . . 0.0 111.828 -171.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -81.98 -45.37 15.45 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 41' ' ' THR . 99.7 mt-10 -102.33 -35.72 8.72 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 126.508 2.38 . . . . 0.0 105.032 -167.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 53.92 42.49 31.68 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.844 3.257 . . . . 0.0 118.552 -154.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -94.0 -29.86 15.01 Favored 'General case' 0 N--CA 1.522 3.142 0 C-N-CA 116.555 -2.058 . . . . 0.0 113.758 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -145.7 101.04 3.51 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 118.113 -2.867 . . . . 0.0 103.898 -111.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.078 HD11 ' HG3' ' A' ' 47' ' ' MET . 81.1 mt -113.65 135.36 54.01 Favored 'General case' 0 CA--C 1.462 -2.414 0 O-C-N 125.516 1.76 . . . . 0.0 108.361 -164.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 63' ' ' LEU . 65.8 t80 -106.51 107.18 18.06 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.637 1.575 . . . . 0.0 108.825 -172.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.689 ' OE1' HD11 ' A' ' 35' ' ' ILE . 88.1 tt0 -116.36 139.88 49.94 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 125.847 1.659 . . . . 0.0 106.86 -174.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.034 HD13 HD12 ' A' ' 82' ' ' ILE . 21.4 mt -125.74 134.17 51.85 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 67.4 m80 -111.08 120.76 43.41 Favored 'General case' 0 CA--C 1.465 -2.309 0 C-N-CA 126.482 1.913 . . . . 0.0 113.991 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.821 HG22 ' O ' ' A' ' 81' ' ' ILE . 46.2 mm 41.43 53.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 118.98 2.956 . . . . 0.0 118.98 -166.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.034 HD12 HD13 ' A' ' 79' ' ' LEU . 20.2 tt . . . . . 0 N--CA 1.518 2.966 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 -164.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 C--O 1.248 1.008 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.0 pp -135.1 161.1 36.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 160.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.767 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -125.15 120.97 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.577 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 38' ' ' PHE . 80.9 mt -93.96 145.99 24.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 123.519 1.628 . . . . 0.0 108.472 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.522 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -71.51 151.78 43.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 124.657 2.17 . . . . 0.0 112.302 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -86.18 -30.93 22.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 111.708 -2.496 . . . . 0.0 113.15 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -63.11 -45.87 89.98 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 122.704 2.502 . . . . 0.0 111.32 -167.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.242 0.664 0 C-N-CA 118.237 -1.385 . . . . 0.0 113.386 173.399 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.56 -38.83 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 C-N-CA 125.467 1.507 . . . . 0.0 111.712 -155.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.767 ' OE1' HG21 ' A' ' 6' ' ' VAL . 49.9 tp10 -64.23 -41.39 97.03 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 117.48 -1.688 . . . . 0.0 111.572 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 96.0 mt -60.21 -45.11 94.29 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.445 -1.409 . . . . 0.0 111.927 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -39.33 93.45 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 115.225 -2.321 . . . . 0.0 113.601 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.3 -44.26 95.52 Favored 'General case' 0 CA--C 1.481 -1.679 0 O-C-N 125.135 1.522 . . . . 0.0 107.077 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.834 HD23 ' CE1' ' A' ' 80' ' ' HIS . 80.1 mt -54.61 -57.49 11.21 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 122.507 1.146 . . . . 0.0 109.752 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -66.59 -49.97 64.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.14 -176.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.36 -45.15 85.29 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.294 1.045 . . . . 0.0 110.176 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.903 ' OE1' HD11 ' A' ' 35' ' ' ILE . 97.1 mt-10 -74.82 -37.62 62.27 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 115.291 -2.29 . . . . 0.0 114.611 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 81' ' ' ILE . 5.4 t80 -56.56 -45.14 81.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.95 1.406 . . . . 0.0 108.596 173.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.9 p -73.59 -40.37 63.93 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.183 -1.573 . . . . 0.0 114.404 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -71.68 -40.68 69.43 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 119.914 1.233 . . . . 0.0 113.189 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.11 165.91 32.4 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 123.219 0.608 . . . . 0.0 111.779 -164.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 81' ' ' ILE . 96.1 mttt -118.42 118.48 31.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 118.278 -2.764 . . . . 0.0 114.868 168.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 11.5 ptp180 -160.68 172.38 17.2 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 120.738 -1.226 . . . . 0.0 112.321 -145.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.8 p -136.2 160.11 39.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 119.132 0.878 . . . . 0.0 111.479 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.903 HD11 ' OE1' ' A' ' 27' ' ' GLU . 95.1 mt -132.71 144.9 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 124.677 2.179 . . . . 0.0 111.585 -168.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -98.2 138.68 35.12 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 120.277 -1.514 . . . . 0.0 111.267 167.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 12.2 t80 -115.37 107.29 15.03 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 7' ' ' LEU . 4.8 t80 -90.53 101.07 13.81 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -143.6 152.94 57.67 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 172.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 66.5 Cg_endo -67.36 146.18 74.2 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.788 1.659 . . . . 0.0 110.923 -120.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.7 m -61.69 -42.71 99.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 124.174 0.921 . . . . 0.0 108.579 160.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.11 -61.65 1.95 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 117.34 -1.744 . . . . 0.0 107.788 -156.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.61 84.06 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 73' ' ' LYS . 87.3 m-70 73.2 -14.24 0.63 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.076 2.15 . . . . 0.0 116.096 -151.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.67 -47.44 69.49 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 119.159 -2.213 . . . . 0.0 116.16 -158.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 83.1 m-20 -64.57 -35.95 82.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.901 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.41 ' H ' ' HD2' ' A' ' 40' ' ' PRO . 63.7 ttp -64.86 -41.17 95.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.529 1.143 . . . . 0.0 110.812 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.19 -40.82 94.74 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.47 -36.63 83.09 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.588 173.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -56.53 -45.54 81.07 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 119.299 0.954 . . . . 0.0 111.98 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.41 -45.62 78.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.043 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.32 -44.81 86.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.81 -34.95 78.35 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.267 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.761 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.4 m-85 -75.2 -33.9 61.46 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 122.031 -0.418 . . . . 0.0 111.603 -168.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.11 -40.45 94.52 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 125.329 1.452 . . . . 0.0 111.252 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.24 -35.04 76.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.175 0.99 . . . . 0.0 112.522 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HZ2' ' HB3' ' A' ' 21' ' ' LEU . 97.1 mttt -121.01 133.31 55.26 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 117.644 -1.17 . . . . 0.0 113.26 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 4.36 68.54 Favored Glycine 0 CA--C 1.557 2.699 0 C-N-CA 130.497 3.903 . . . . 0.0 122.453 -163.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m-70 -79.64 -38.67 33.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 121.459 2.629 . . . . 0.0 117.916 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.9 t -56.68 140.35 47.47 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 120.202 -1.562 . . . . 0.0 112.396 166.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -68.14 -48.24 65.91 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.141 -0.974 . . . . 0.0 110.104 163.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -158.83 153.21 24.11 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 76' ' ' LEU . 4.8 tt -124.8 138.48 54.27 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 120.638 1.563 . . . . 0.0 113.223 164.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.617 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.9 t0 -137.01 168.55 19.38 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 163.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.545 ' HB2' HH12 ' A' ' 67' ' ' ARG . 96.4 mt-10 -70.12 172.91 7.24 Favored 'General case' 0 C--O 1.246 0.907 0 O-C-N 120.072 -1.642 . . . . 0.0 111.048 169.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 75' ' ' PHE . 34.8 m -79.35 162.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 119.06 -2.275 . . . . 0.0 112.644 148.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 65' ' ' GLU . 65.9 mmt-85 -98.76 52.32 0.99 Allowed 'General case' 0 C--O 1.206 -1.224 0 O-C-N 117.398 -3.314 . . . . 0.0 116.775 149.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -107.16 11.05 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.493 -1.38 . . . . 0.0 109.548 132.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.3 p -54.54 -42.54 71.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.1 m -65.67 -41.8 92.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.123 -161.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -76.15 -47.05 25.76 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 127.715 3.134 . . . . 0.0 113.554 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -130.07 -10.75 4.26 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 122.946 2.612 . . . . 0.0 116.98 -162.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 96.1 mttt 48.0 40.9 14.13 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -115.32 -34.11 5.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 122.707 2.503 . . . . 0.0 115.875 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 86.8 m-85 -106.45 121.39 44.17 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -171.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 63' ' ' LEU . 57.3 mt -77.83 152.76 33.28 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 156.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.74 ' CD2' HD11 ' A' ' 79' ' ' LEU . 60.8 t80 -110.74 112.38 24.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 124.837 1.255 . . . . 0.0 109.491 157.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.557 ' C ' HD12 ' A' ' 79' ' ' LEU . 42.6 tt0 -131.36 132.2 44.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 123.01 1.386 . . . . 0.0 111.29 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.96 ' CD2' HD12 ' A' ' 82' ' ' ILE . 4.4 mp -117.35 127.4 54.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 119.514 -1.991 . . . . 0.0 108.612 -158.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.834 ' CE1' HD23 ' A' ' 24' ' ' LEU . 17.1 m170 -108.96 119.68 40.28 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 120.347 1.43 . . . . 0.0 108.666 -168.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.578 HD13 ' HE2' ' A' ' 32' ' ' LYS . 20.5 tt 32.62 61.9 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 123.188 1.471 . . . . 0.0 114.448 -164.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.96 HD12 ' CD2' ' A' ' 79' ' ' LEU . 21.2 tt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 120.695 3.591 . . . . 0.0 120.695 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.44 -0.967 0 CA-C-O 116.221 -1.847 . . . . 0.0 114.333 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 36' ' ' PHE . 96.4 mt -76.2 165.63 24.62 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 123.725 2.966 . . . . 0.0 112.732 173.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.835 HG21 ' OE1' ' A' ' 20' ' ' GLU . 86.3 t -124.51 148.78 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 C-N-CA 128.834 2.854 . . . . 0.0 109.29 142.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -107.92 146.07 32.89 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -60.89 155.58 19.41 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 127.146 2.178 . . . . 0.0 111.463 158.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -62.8 -44.81 95.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 161.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -36.15 82.1 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.394 1.477 . . . . 0.0 112.005 -156.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 40' ' ' PRO . 41.8 p . . . . . 0 C--N 1.321 -0.638 0 C-N-CA 115.777 -2.369 . . . . 0.0 113.443 -173.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 p . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 119.425 3.121 . . . . 0.0 119.425 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.42 -40.6 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -161.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.835 ' OE1' HG21 ' A' ' 6' ' ' VAL . 37.1 tp10 -64.79 -43.75 92.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 117.756 -1.578 . . . . 0.0 109.347 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.25 -47.35 85.67 Favored 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 118.145 -1.422 . . . . 0.0 111.998 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.69 -40.07 95.97 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.75 -32.52 72.33 Favored 'General case' 0 CA--C 1.476 -1.896 0 O-C-N 124.403 1.064 . . . . 0.0 110.218 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 80' ' ' HIS . 53.9 mt -54.68 -54.38 42.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.932 0.873 . . . . 0.0 109.399 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 52.8 t80 -64.87 -47.98 75.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.157 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 59.4 m170 -70.52 -45.43 65.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.429 1.081 . . . . 0.0 113.276 -168.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.564 ' OE2' HD11 ' A' ' 35' ' ' ILE . 99.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 CA--C 1.479 -1.771 0 O-C-N 125.144 1.527 . . . . 0.0 111.13 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.23 -49.18 78.18 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 124.645 1.215 . . . . 0.0 111.391 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -65.61 -41.06 93.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.181 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -87.21 -42.89 12.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -170.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -132.69 159.32 39.98 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 126.982 2.113 . . . . 0.0 109.165 -163.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 97.2 mttt -106.74 129.95 54.54 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 119.136 -2.228 . . . . 0.0 110.091 157.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' SER . 15.9 ttm180 -155.64 158.69 38.74 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.157 -0.964 . . . . 0.0 111.706 -143.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.592 ' HB2' HD23 ' A' ' 79' ' ' LEU . 84.7 p -126.0 164.4 20.92 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.364 161.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.564 HD11 ' OE2' ' A' ' 27' ' ' GLU . 47.7 mm -132.3 156.48 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 125.027 1.331 . . . . 0.0 109.437 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' A' ' 5' ' ' LEU . 47.2 m-85 -117.49 129.27 55.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.377 1.871 . . . . 0.0 109.005 160.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 89.0 t80 -107.26 107.7 18.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 61.4 t80 -85.28 91.28 8.12 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 127.094 2.158 . . . . 0.0 110.035 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.535 ' CB ' ' CE2' ' A' ' 37' ' ' TYR . . . -141.25 147.06 45.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 O-C-N 119.971 -1.706 . . . . 0.0 114.168 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 72.9 Cg_endo -65.9 149.43 86.43 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 CA-C-O 118.117 -0.868 . . . . 0.0 114.121 -115.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.484 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 9.8 t -68.74 -32.0 71.47 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-O 117.375 -1.298 . . . . 0.0 111.206 166.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' THR . 94.9 m-20 -77.91 -38.52 45.42 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 129.502 3.121 . . . . 0.0 117.055 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -121.3 -9.98 9.0 Favored 'General case' 0 C--O 1.182 -2.461 0 CA-C-O 114.636 -2.602 . . . . 0.0 116.708 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 48.27 41.78 16.69 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 130.408 3.483 . . . . 0.0 106.171 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 97.1 mttt -118.0 -43.78 2.74 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.077 1.308 . . . . 0.0 108.875 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 69.4 m-20 -60.26 -39.08 85.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 117.908 -1.517 . . . . 0.0 110.19 165.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.475 ' CE ' ' HE3' ' A' ' 73' ' ' LYS . 25.4 ptm -67.49 -39.26 85.2 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 117.857 -3.027 . . . . 0.0 115.981 177.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.42 -39.52 94.01 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 119.685 1.13 . . . . 0.0 109.464 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.22 -35.36 80.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.669 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.39 -41.83 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.78 -44.13 85.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 O-C-N 124.219 0.95 . . . . 0.0 108.643 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.97 -45.43 93.69 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.47 -39.32 83.3 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.998 ' HD2' HD22 ' A' ' 63' ' ' LEU . 10.8 m-85 -74.49 -35.6 63.24 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 125.838 1.962 . . . . 0.0 107.749 -161.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.19 -46.34 74.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 128.466 2.707 . . . . 0.0 111.728 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -49.63 -38.94 34.05 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 123.047 2.658 . . . . 0.0 112.859 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 99.1 mttt -99.06 152.6 19.66 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 126.673 2.483 . . . . 0.0 114.822 176.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.86 -8.98 87.5 Favored Glycine 0 CA--C 1.527 0.789 0 O-C-N 120.731 -1.23 . . . . 0.0 113.706 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 64.1 m170 -58.16 -34.42 70.29 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -156.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -100.2 139.77 35.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.283 1.833 . . . . 0.0 113.986 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.26 81.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.412 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -163.93 164.34 23.32 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 124.272 0.982 . . . . 0.0 111.262 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.998 HD22 ' HD2' ' A' ' 54' ' ' PHE . 46.0 tp -130.17 140.51 50.75 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 163.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.34 173.85 11.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.533 -0.729 . . . . 0.0 109.502 168.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.43 166.83 20.88 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 119.641 -1.912 . . . . 0.0 112.242 165.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.849 HG12 ' H ' ' A' ' 68' ' ' VAL . 44.6 t -85.58 135.72 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 144.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.674 ' HA ' ' H ' ' A' ' 69' ' ' SER . 78.9 mtt-85 -88.25 65.22 7.97 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 118.02 -2.925 . . . . 0.0 117.326 149.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.849 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.7 m -95.14 17.5 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 128.777 2.831 . . . . 0.0 110.271 117.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.674 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 80.0 p -62.59 -40.05 95.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 120.053 -1.655 . . . . 0.0 112.032 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.4 p -63.32 -36.64 84.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 121.156 -0.965 . . . . 0.0 108.414 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -75.68 -41.5 53.67 Favored 'General case' 0 C--O 1.206 -1.198 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.89 -49.63 1.6 Allowed 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -165.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HE3' ' CE ' ' A' ' 47' ' ' MET . 50.8 tptt 65.43 15.72 10.17 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.667 2.387 . . . . 0.0 114.21 172.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 41' ' ' THR . 5.3 m-20 -71.06 -36.42 72.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 162.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -106.73 115.02 29.48 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 122.379 1.085 . . . . 0.0 113.179 -162.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 80.4 mt -84.4 150.82 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 113.49 -1.686 . . . . 0.0 109.102 158.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -130.66 131.78 45.07 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 118.847 -1.141 . . . . 0.0 113.996 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -137.14 146.41 44.97 Favored 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -152.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.125 HD13 HD12 ' A' ' 82' ' ' ILE . 78.9 mt -130.68 134.71 47.17 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 117.626 -1.63 . . . . 0.0 108.465 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.672 ' CE1' HD23 ' A' ' 24' ' ' LEU . 24.6 m170 -118.1 104.38 10.78 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.66 ' O ' HG22 ' A' ' 82' ' ' ILE . 80.8 mt 77.38 -48.89 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-O 114.404 -2.712 . . . . 0.0 108.078 -172.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.125 HD12 HD13 ' A' ' 79' ' ' LEU . 19.7 tt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 114.011 -2.899 . . . . 0.0 112.063 -165.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.578 ' C ' HD12 ' A' ' 5' ' ' LEU . 61.3 pttt . . . . . 0 C--O 1.185 -2.296 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.1 mp -121.65 160.75 23.78 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 117.599 -1.641 . . . . 0.0 106.764 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 1.0 HG23 HD11 ' A' ' 35' ' ' ILE . 80.0 t -126.62 151.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 126.772 2.029 . . . . 0.0 108.757 168.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.37 136.0 54.0 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 124.991 1.316 . . . . 0.0 107.625 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.45 142.32 46.86 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 127.397 2.279 . . . . 0.0 111.955 164.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.16 -27.3 67.18 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 130.759 3.623 . . . . 0.0 115.642 175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -88.76 -8.77 53.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 CA-C-N 125.122 3.601 . . . . 0.0 111.85 -168.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.179 -2.63 0 CA-C-N 125.489 3.768 . . . . 0.0 119.973 162.014 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 HG22 ' A' ' 6' ' ' VAL . 63.6 t -66.1 -40.73 87.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -155.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB3' HG11 ' A' ' 6' ' ' VAL . 21.7 pt-20 -59.98 -44.58 94.4 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 120.399 -1.438 . . . . 0.0 111.693 174.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -44.73 90.37 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 117.546 -1.662 . . . . 0.0 107.899 -174.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -40.33 84.16 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 58.3 t0 -65.54 -38.17 88.85 Favored 'General case' 0 C--O 1.174 -2.899 0 O-C-N 125.277 1.61 . . . . 0.0 108.222 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.677 HD23 ' CD2' ' A' ' 80' ' ' HIS . 71.8 mt -57.21 -54.84 42.2 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.053 -1.654 . . . . 0.0 111.462 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.459 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 49.8 t80 -58.86 -52.76 64.34 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.459 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 47.8 m170 -75.68 -36.15 60.15 Favored 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 125.747 1.904 . . . . 0.0 111.063 -167.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.678 ' OE2' ' HB3' ' A' ' 33' ' ' ARG . 79.7 tt0 -65.09 -41.39 95.03 Favored 'General case' 0 CA--C 1.463 -2.397 0 O-C-N 120.542 -1.349 . . . . 0.0 110.177 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -56.66 -51.69 67.79 Favored 'General case' 0 N--CA 1.402 -2.863 0 O-C-N 126.671 2.482 . . . . 0.0 109.029 -179.659 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -66.49 -36.35 82.52 Favored 'General case' 0 C--N 1.39 2.343 0 N-CA-C 118.774 2.879 . . . . 0.0 118.774 -173.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.07 -45.32 58.04 Favored 'General case' 0 C--O 1.187 -2.212 0 C-N-CA 128.218 2.607 . . . . 0.0 112.118 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -158.4 163.96 36.73 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.278 -166.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -108.9 119.38 39.39 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.519 -1.988 . . . . 0.0 114.28 169.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HB3' ' OE2' ' A' ' 27' ' ' GLU . 15.0 mtt180 -167.97 169.35 11.38 Favored 'General case' 0 CA--C 1.473 -1.998 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -148.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -134.5 155.37 50.5 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 6' ' ' VAL . 13.4 tt -125.29 153.98 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 C-N-CA 126.134 1.774 . . . . 0.0 108.18 -167.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.629 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 84.5 m-85 -107.32 132.02 53.58 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 111.388 -2.642 . . . . 0.0 111.849 157.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.1 t80 -111.61 112.12 23.6 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.064 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . 51.1 t80 -88.57 98.16 11.5 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.092 1.357 . . . . 0.0 109.641 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -140.2 149.85 59.58 Favored Pre-proline 0 CA--C 1.487 -1.471 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.028 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.2 Cg_endo -69.78 156.16 64.03 Favored 'Trans proline' 0 C--O 1.194 -1.694 0 O-C-N 125.267 2.193 . . . . 0.0 112.569 -123.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.6 m -70.02 -39.62 75.69 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-O 124.434 2.064 . . . . 0.0 111.271 159.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.52 -45.26 72.71 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 130.758 3.623 . . . . 0.0 113.025 -156.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.42 -46.78 4.68 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.349 -2.205 . . . . 0.0 114.282 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 79.73 2.39 2.15 Favored 'General case' 0 C--O 1.192 -1.938 0 C-N-CA 130.511 3.524 . . . . 0.0 115.637 -162.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.42 -53.0 49.39 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 119.918 3.303 . . . . 0.0 119.918 -171.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.755 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -63.02 -36.5 83.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 125.601 1.813 . . . . 0.0 109.676 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.591 ' HG3' HD11 ' A' ' 76' ' ' LEU . 55.6 ttm -65.71 -42.7 90.82 Favored 'General case' 0 N--CA 1.426 -1.639 0 O-C-N 123.684 0.615 . . . . 0.0 112.512 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.16 -43.44 98.26 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 119.381 -0.927 . . . . 0.0 111.208 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.96 -36.09 80.4 Favored 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.81 97.3 Favored 'General case' 0 N--CA 1.409 -2.493 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -55.49 -46.32 78.79 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.812 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -64.6 -47.35 78.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.115 1.509 . . . . 0.0 112.167 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -55.73 -37.36 68.33 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 121.855 2.116 . . . . 0.0 109.412 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.888 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.6 m-85 -73.24 -35.68 66.29 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 116.922 -1.911 . . . . 0.0 108.757 -158.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.11 -42.79 88.73 Favored 'General case' 0 C--O 1.187 -2.212 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.926 167.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.97 -25.99 64.05 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.253 -2.78 . . . . 0.0 114.459 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -118.37 149.91 40.41 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.944 2.098 . . . . 0.0 114.027 177.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.01 -12.05 83.59 Favored Glycine 0 C--N 1.396 3.899 0 N-CA-C 117.767 1.867 . . . . 0.0 117.767 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -61.3 -43.27 99.15 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.702 1.239 . . . . 0.0 113.069 -155.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 11.1 t -81.08 148.52 29.62 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.522 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -93.6 -44.85 8.0 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 109.7 175.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 79' ' ' LEU . 93.3 m-85 -135.67 158.17 45.06 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 126.112 2.132 . . . . 0.0 112.594 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' HD2' ' A' ' 54' ' ' PHE . 54.8 tp -136.49 137.08 39.97 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.776 -1.203 . . . . 0.0 112.863 164.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.48 160.55 26.34 Favored 'General case' 0 C--N 1.4 2.798 0 C-N-CA 118.484 -1.286 . . . . 0.0 109.902 168.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.42 151.83 39.93 Favored 'General case' 0 C--O 1.189 -2.13 0 O-C-N 120.46 -1.4 . . . . 0.0 113.953 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.893 HG12 ' H ' ' A' ' 68' ' ' VAL . 71.2 t -73.39 138.71 20.76 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.088 0 C-N-CA 115.415 -2.514 . . . . 0.0 109.203 150.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -84.48 60.47 6.06 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 116.505 -3.872 . . . . 0.0 112.148 156.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.893 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -97.57 0.48 10.51 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 CA-C-O 123.322 1.534 . . . . 0.0 111.289 125.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 60.0 p -60.63 -44.69 96.06 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.6 m -61.0 -41.65 96.93 Favored 'General case' 0 C--O 1.192 -1.96 0 O-C-N 120.404 -1.435 . . . . 0.0 109.558 -171.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -67.48 -40.98 85.29 Favored 'General case' 0 C--O 1.187 -2.208 0 O-C-N 126.972 2.67 . . . . 0.0 117.028 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -155.58 24.7 0.4 Allowed 'General case' 0 C--N 1.38 1.915 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 57.22 39.42 28.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 116.615 -3.803 . . . . 0.0 118.087 150.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -121.47 -54.14 1.98 Allowed 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -162.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 58.0 m-85 -103.05 122.98 45.77 Favored 'General case' 0 C--O 1.264 1.853 0 O-C-N 120.893 -1.13 . . . . 0.0 112.593 -170.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 47' ' ' MET . 92.4 mt -88.64 140.52 29.37 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 126.008 1.723 . . . . 0.0 112.261 160.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 42.2 t80 -101.57 107.42 18.68 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.558 ' OE2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -117.4 124.19 48.27 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.189 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -123.6 137.72 54.69 Favored 'General case' 0 CA--C 1.493 -1.247 0 O-C-N 117.664 -3.147 . . . . 0.0 108.807 -170.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.677 ' CD2' HD23 ' A' ' 24' ' ' LEU . 2.8 m80 -114.08 124.3 51.76 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -159.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 81' ' ' ILE . 36.5 mm 42.92 48.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 79' ' ' LEU . 9.2 tp . . . . . 1 C--O 1.125 -5.463 1 O-C-N 115.91 -4.244 . . . . 0.0 112.243 166.785 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' HD12 ' A' ' 5' ' ' LEU . 97.2 mttt . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.907 HD23 ' HE1' ' A' ' 38' ' ' PHE . 5.6 mp -135.85 152.41 51.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 122.324 2.329 . . . . 0.0 105.613 -166.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.898 HG11 ' HB2' ' A' ' 20' ' ' GLU . 79.5 t -131.82 125.11 54.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-O 122.53 1.157 . . . . 0.0 110.132 -175.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.589 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.4 mt -97.88 149.29 22.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 119.054 -2.279 . . . . 0.0 108.536 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.84 145.27 45.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.552 2.741 . . . . 0.0 114.737 167.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.43 -21.09 33.04 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 117.143 -1.823 . . . . 0.0 114.217 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 84.9 m-20 -64.75 -40.85 95.99 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -164.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p . . . . . 0 C--O 1.203 -1.377 0 O-C-N 120.06 -1.65 . . . . 0.0 115.187 -176.386 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.1 -40.8 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 C-N-CA 129.867 3.267 . . . . 0.0 111.509 -172.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.898 ' HB2' HG11 ' A' ' 6' ' ' VAL . 46.0 tp10 -61.37 -45.44 94.38 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 ' HE3' ' A' ' 57' ' ' LYS . 96.2 mt -60.26 -50.63 72.89 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.372 -177.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.35 -40.25 95.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.258 -1.526 . . . . 0.0 114.43 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -33.27 71.71 Favored 'General case' 0 CA--C 1.468 -2.186 0 O-C-N 123.493 0.496 . . . . 0.0 110.946 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' ' 20' ' ' GLU . 4.5 mp -49.48 -60.29 2.98 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.16 0.505 . . . . 0.0 110.293 174.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' ' CE1' ' A' ' 59' ' ' HIS . 56.9 m-85 -63.71 -48.44 77.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.604 -172.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -73.04 -41.4 64.23 Favored 'General case' 0 N--CA 1.401 -2.879 0 O-C-N 125.789 1.931 . . . . 0.0 113.116 -169.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.02 -45.24 93.42 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 124.392 1.077 . . . . 0.0 111.949 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 81' ' ' ILE . 41.3 t80 -62.26 -47.87 82.41 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 128.761 2.824 . . . . 0.0 112.87 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.1 p -67.05 -44.4 80.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 121.453 -0.78 . . . . 0.0 112.619 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.52 -31.14 20.09 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 124.658 1.224 . . . . 0.0 112.234 -168.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.4 164.87 33.73 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 119.608 1.095 . . . . 0.0 113.609 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE2' HD13 ' A' ' 81' ' ' ILE . 97.4 mttt -107.29 116.08 31.31 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 117.657 -3.152 . . . . 0.0 115.776 163.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 34' ' ' SER . 39.7 ttm180 -162.44 172.83 14.92 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 118.583 -2.573 . . . . 0.0 106.633 -142.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.876 ' HB2' HD23 ' A' ' 79' ' ' LEU . 90.5 p -149.5 154.8 39.34 Favored 'General case' 0 CA--C 1.483 -1.601 0 O-C-N 120.395 -1.44 . . . . 0.0 111.678 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.577 HD11 ' OE2' ' A' ' 20' ' ' GLU . 29.0 pt -136.09 168.13 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 O-C-N 125.674 1.858 . . . . 0.0 112.102 -169.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 29.5 m-85 -116.97 143.75 45.36 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 125.03 1.332 . . . . 0.0 108.413 168.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.697 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 5.4 t80 -114.57 118.51 33.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 118.862 -2.399 . . . . 0.0 104.623 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.907 ' HE1' HD23 ' A' ' 5' ' ' LEU . 87.6 m-85 -105.31 95.94 6.17 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -133.55 146.31 59.98 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 129.279 3.032 . . . . 0.0 117.278 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 91.0 Cg_exo -67.01 153.32 78.28 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 115.833 -2.312 . . . . 0.0 115.838 -121.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 92.9 m -65.89 -42.51 90.18 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 123.573 1.654 . . . . 0.0 112.56 163.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -70.26 -41.08 73.94 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 129.028 2.931 . . . . 0.0 116.756 -167.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -104.09 -34.06 8.55 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 171.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 85.0 m-70 61.42 36.5 17.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 118.147 2.647 . . . . 0.0 118.147 -165.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -113.36 -53.46 2.7 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.134 -160.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 82.7 m-20 -60.2 -36.52 77.85 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.584 1.803 . . . . 0.0 106.64 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.551 ' HG2' HD11 ' A' ' 76' ' ' LEU . 12.3 tmm? -66.3 -44.4 83.6 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.68 -40.33 83.27 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 122.045 0.926 . . . . 0.0 110.45 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.8 mttt -64.34 -36.9 85.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.697 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -55.03 -46.22 75.26 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.416 1.487 . . . . 0.0 112.532 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.27 -47.43 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -67.27 -46.25 74.24 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 19.0 m-30 -60.27 -40.14 89.31 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.575 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CD2' HD12 ' A' ' 63' ' ' LEU . 6.8 m-30 -75.73 -36.27 59.98 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 100.66 -3.83 . . . . 0.0 100.66 -155.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -45.74 84.72 Favored 'General case' 0 C--O 1.191 -1.991 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.436 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.6 -52.8 63.92 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 114.709 -2.567 . . . . 0.0 109.715 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.661 ' HE3' HD22 ' A' ' 21' ' ' LEU . 73.2 mmtt -54.12 -49.69 68.58 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -170.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.5 -30.84 8.67 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 126.131 1.824 . . . . 0.0 117.39 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 63.3 m80 -71.85 -40.8 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 119.205 3.039 . . . . 0.0 119.205 -167.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.626 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.8 t -61.65 153.77 27.07 Favored 'General case' 0 CA--C 1.481 -1.705 0 O-C-N 119.185 -2.197 . . . . 0.0 106.164 168.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -95.47 -37.55 10.86 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.452 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.4 t80 -160.55 157.33 27.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 127.087 2.742 . . . . 0.0 116.816 -173.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 54' ' ' PHE . 3.0 tt -140.08 140.65 36.14 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.495 -1.378 . . . . 0.0 113.192 168.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.567 ' N ' HD23 ' A' ' 63' ' ' LEU . 8.7 t0 -142.24 176.39 9.01 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.555 1.942 . . . . 0.0 108.192 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.28 167.62 14.65 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 121.176 0.512 . . . . 0.0 110.768 173.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 91.6 t -104.77 146.57 11.83 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 O-C-N 120.929 -1.107 . . . . 0.0 108.904 164.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -91.56 59.43 3.79 Favored 'General case' 0 C--O 1.2 -1.502 0 O-C-N 119.267 -2.146 . . . . 0.0 107.32 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.82 3.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 117.814 -3.054 . . . . 0.0 110.512 124.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 58.8 m -62.57 -39.43 93.67 Favored 'General case' 0 C--O 1.205 -1.24 0 C-N-CA 124.922 1.289 . . . . 0.0 110.577 177.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.7 m -58.67 -45.43 89.41 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-O 117.071 -1.442 . . . . 0.0 108.741 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.19 -46.86 69.52 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 126.584 1.954 . . . . 0.0 115.92 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -126.1 -8.83 6.52 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 118.633 0.652 . . . . 0.0 112.427 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 23.7 tptm -7.16 115.62 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.096 0 O-C-N 118.911 -2.368 . . . . 0.0 116.347 -147.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -131.1 7.3 4.64 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 127.233 2.213 . . . . 0.0 114.36 131.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -109.93 104.88 13.86 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.465 0.65 . . . . 0.0 109.736 -145.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 47' ' ' MET . 96.4 mt -110.5 142.01 42.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.743 0.817 . . . . 0.0 112.75 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 64.1 t80 -113.11 104.49 12.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 128.743 2.817 . . . . 0.0 106.032 -171.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 88.6 tt0 -118.03 138.51 52.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -175.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.957 ' CD1' HD12 ' A' ' 82' ' ' ILE . 97.4 mt -122.96 128.12 49.8 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.678 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 94.5 m-70 -108.09 122.0 45.99 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 120.15 1.341 . . . . 0.0 110.665 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.589 HD13 ' HE2' ' A' ' 32' ' ' LYS . 19.9 tt 27.04 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -157.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.957 HD12 ' CD1' ' A' ' 79' ' ' LEU . 19.3 tt . . . . . 0 C--O 1.176 -2.798 1 N-CA-C 121.894 4.035 . . . . 0.0 121.894 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.1 mttt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -130.16 167.8 17.81 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 118.692 -1.203 . . . . 0.0 109.616 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.938 HG21 ' OE1' ' A' ' 20' ' ' GLU . 73.1 t -126.59 112.21 28.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 127.874 3.234 . . . . 0.0 113.989 170.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 38' ' ' PHE . 57.3 mt -79.92 140.7 36.59 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.319 -0.863 . . . . 0.0 111.22 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -62.64 136.88 58.1 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 128.711 2.804 . . . . 0.0 111.415 167.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.52 -43.82 93.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.153 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -60.52 -43.09 97.5 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 131.268 3.827 . . . . 0.0 111.846 -155.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.294 -1.808 0 O-C-N 117.711 -3.118 . . . . 0.0 112.773 -171.406 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 6' ' ' VAL . 13.9 p -62.92 -36.9 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 C-N-CA 127.799 2.44 . . . . 0.0 112.31 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.938 ' OE1' HG21 ' A' ' 6' ' ' VAL . 52.5 tp10 -63.06 -44.38 95.99 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 116.958 -1.897 . . . . 0.0 110.12 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 57' ' ' LYS . 91.9 mt -62.83 -45.43 92.64 Favored 'General case' 0 N--CA 1.426 -1.625 0 C-N-CA 117.224 -1.79 . . . . 0.0 112.414 -171.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.49 -37.35 86.54 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.805 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.2 -36.36 83.94 Favored 'General case' 0 CA--C 1.479 -1.775 0 O-C-N 125.914 2.009 . . . . 0.0 110.03 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 50.7 mt -57.37 -56.5 21.08 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.52 0.6 . . . . 0.0 110.516 -176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 60.4 t80 -63.93 -45.73 87.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.82 -41.34 44.7 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 117.433 -1.707 . . . . 0.0 111.342 -166.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.267 93.9 mt-10 -56.97 -46.83 81.91 Favored 'General case' 0 CA--C 1.45 -2.882 0 C-N-CA 124.042 0.937 . . . . 0.0 111.248 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 81' ' ' ILE . 3.1 t80 -56.43 -52.76 63.47 Favored 'General case' 0 N--CA 1.415 -2.208 0 O-C-N 126.684 2.49 . . . . 0.0 110.802 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.0 p -64.81 -47.89 76.38 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 114.674 -1.148 . . . . 0.0 113.175 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -75.51 -47.54 26.53 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -133.61 154.87 50.55 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -158.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -103.2 124.18 48.13 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.24 -2.314 . . . . 0.0 112.973 163.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HG2' ' H ' ' A' ' 34' ' ' SER . 67.7 ttt180 -167.2 176.21 6.92 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 123.056 2.662 . . . . 0.0 116.953 -141.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' HD23 ' A' ' 79' ' ' LEU . 95.0 p -158.86 146.66 17.86 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 117.182 -3.449 . . . . 0.0 110.643 -168.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.588 HG13 ' HB3' ' A' ' 78' ' ' GLU . 48.0 pt -135.54 165.12 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 124.091 1.9 . . . . 0.0 115.871 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 75.0 m-85 -106.35 138.87 41.75 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.212 1.805 . . . . 0.0 110.588 161.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 1.4 t80 -117.34 118.43 32.21 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.16 -1.588 . . . . 0.0 109.353 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.3 t80 -113.75 86.14 2.34 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 -145.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -148.31 128.6 6.74 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 113.822 -1.536 . . . . 0.0 113.274 -146.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 98.3 Cg_endo -63.59 142.53 84.42 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 O-C-N 122.916 0.956 . . . . 0.0 111.749 -118.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.1 m -67.94 -40.74 83.22 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 122.216 1.008 . . . . 0.0 110.613 168.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.01 -39.76 72.19 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.931 3.692 . . . . 0.0 117.027 -170.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.97 -23.58 10.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 165.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 82.9 m-70 66.72 13.56 9.41 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 119.982 1.264 . . . . 0.0 110.759 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.1 tttt -85.72 -50.68 6.99 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 127.328 2.251 . . . . 0.0 111.769 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 70.6 m-20 -65.03 -35.7 82.02 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 125.948 2.03 . . . . 0.0 108.465 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 ttm -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 118.912 -2.367 . . . . 0.0 115.779 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 44' ' ' HIS . 82.0 mt -60.43 -39.45 87.5 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 123.02 1.391 . . . . 0.0 107.92 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 99.3 mttt -62.39 -40.47 96.57 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.321 -0.862 . . . . 0.0 111.237 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.37 85.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.529 1.131 . . . . 0.0 114.022 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.69 -43.03 82.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -43.16 92.19 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.86 -39.03 83.82 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.049 ' HD2' HD22 ' A' ' 63' ' ' LEU . 7.6 m-85 -69.8 -32.74 71.37 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.953 2.033 . . . . 0.0 107.158 -160.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.99 -36.07 62.01 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 112.416 -3.659 . . . . 0.0 116.537 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.21 -35.01 74.46 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 122.754 2.525 . . . . 0.0 109.826 172.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.2 mmtt -98.39 148.17 23.96 Favored 'General case' 0 C--O 1.184 -2.387 0 CA-C-O 112.795 -3.479 . . . . 0.0 112.761 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.11 4.69 74.79 Favored Glycine 0 C--O 1.206 -1.644 0 C-N-CA 128.699 3.047 . . . . 0.0 118.099 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 99.2 m-70 -97.96 15.04 25.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 121.519 2.659 . . . . 0.0 116.544 -154.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -99.1 -140.79 0.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.058 1.743 . . . . 0.0 107.358 -156.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' LEU . . . -139.19 -62.94 0.53 Allowed 'General case' 0 C--N 1.295 -1.798 1 N-CA-C 99.792 -4.151 . . . . 0.0 99.792 132.121 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -129.8 152.75 48.96 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -164.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.049 HD22 ' HD2' ' A' ' 54' ' ' PHE . 53.6 tp -122.9 137.25 55.0 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.744 1.618 . . . . 0.0 114.071 161.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -143.01 173.14 11.81 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 119.711 -1.868 . . . . 0.0 111.08 169.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -77.54 160.08 28.86 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 117.596 -3.19 . . . . 0.0 115.614 164.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 68' ' ' VAL . 18.4 m -77.1 164.33 3.54 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 150.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.535 ' NH2' ' OG ' ' A' ' 69' ' ' SER . 11.9 mmp_? -97.92 8.45 44.72 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 164.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 66' ' ' VAL . 20.0 m -76.64 1.11 2.11 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.733 0 CA-C-N 124.171 3.169 . . . . 0.0 107.784 151.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.535 ' OG ' ' NH2' ' A' ' 67' ' ' ARG . 88.3 p -64.18 -38.6 91.64 Favored 'General case' 0 C--O 1.207 -1.148 0 O-C-N 120.684 -1.26 . . . . 0.0 111.968 177.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -62.67 -37.87 88.1 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 117.868 -1.533 . . . . 0.0 107.532 -173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -81.23 -54.4 5.53 Favored 'General case' 0 C--O 1.173 -2.937 0 O-C-N 126.065 2.103 . . . . 0.0 111.747 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 99.8 mt-10 -123.62 -20.06 5.63 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 117.559 -3.213 . . . . 0.0 111.22 -164.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HB3' ' HE1' ' A' ' 44' ' ' HIS . 98.6 mttt 73.09 17.28 4.13 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 161.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 -33.25 11.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.637 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 96.9 m-85 -111.01 123.46 50.23 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 119.559 1.072 . . . . 0.0 113.165 -171.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.7 mt -82.46 136.92 34.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.125 2.17 . . . . 0.0 109.556 152.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 79' ' ' LEU . 50.0 t80 -100.93 104.36 15.55 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.588 ' HB3' HG13 ' A' ' 35' ' ' ILE . 89.1 tt0 -111.97 128.73 56.25 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.717 -173.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.09 HD13 ' CD1' ' A' ' 82' ' ' ILE . 91.4 mt -117.43 129.96 56.17 Favored 'General case' 0 CA--C 1.474 -1.947 0 O-C-N 119.879 -1.763 . . . . 0.0 113.161 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -109.94 125.51 52.92 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 81' ' ' ILE . 94.3 mt 53.7 44.28 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.692 0.62 . . . . 0.0 112.072 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.09 ' CD1' HD13 ' A' ' 79' ' ' LEU . 20.6 tt . . . . . 0 CA--C 1.572 1.821 1 CA-C-O 110.462 -4.59 . . . . 0.0 115.076 -169.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HB3' HG22 ' A' ' 35' ' ' ILE . 74.7 mmtt . . . . . 0 N--CA 1.443 -0.818 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -127.68 166.45 18.09 Favored 'General case' 0 CA--C 1.474 -1.979 0 CA-C-O 114.375 -2.726 . . . . 0.0 109.098 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.0 t -122.53 124.03 69.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 128.339 3.524 . . . . 0.0 111.257 169.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.8 mt -96.92 143.2 28.02 Favored 'General case' 0 C--O 1.191 -1.991 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 -174.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.92 139.24 58.06 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.253 3.021 . . . . 0.0 116.446 161.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.41 -44.27 95.13 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 170.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -64.41 -44.25 91.83 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.186 -164.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m . . . . . 0 C--N 1.345 0.407 0 C-N-CA 116.268 -2.173 . . . . 0.0 112.685 179.134 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.05 -37.08 78.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 127.142 2.177 . . . . 0.0 114.927 -148.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 14.8 pt-20 -57.07 -45.12 83.53 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.267 -0.878 . . . . 0.0 112.032 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.8 mt -66.11 -47.13 75.17 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' CG ' ' CE1' ' A' ' 26' ' ' HIS . 87.1 tt0 -65.33 -38.73 91.03 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 126.185 1.794 . . . . 0.0 114.799 174.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -67.58 -36.7 81.4 Favored 'General case' 0 CA--C 1.491 -1.327 0 O-C-N 124.43 1.081 . . . . 0.0 109.802 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 80' ' ' HIS . 77.0 mt -55.83 -57.01 13.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.999 0.818 . . . . 0.0 110.194 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.7 -46.93 88.48 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.431 ' CE1' ' CG ' ' A' ' 22' ' ' GLU . 66.8 m170 -69.78 -46.76 65.04 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -172.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -60.8 -45.69 93.41 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 113.451 -1.704 . . . . 0.0 107.733 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.16 -40.08 86.6 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 116.79 -1.964 . . . . 0.0 111.37 -174.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.3 p -64.14 -42.56 96.75 Favored 'General case' 0 N--CA 1.434 -1.246 0 O-C-N 120.41 -1.431 . . . . 0.0 113.853 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.0 -39.98 19.0 Favored 'General case' 0 N--CA 1.418 -2.038 0 O-C-N 126.713 2.508 . . . . 0.0 113.576 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -141.64 160.82 39.37 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.817 1.247 . . . . 0.0 113.813 -167.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -115.59 113.57 23.76 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 118.26 -2.775 . . . . 0.0 118.464 163.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 3.5 mmp_? -160.45 177.55 10.45 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 119.702 -1.873 . . . . 0.0 107.495 -135.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.859 ' HB2' HD23 ' A' ' 79' ' ' LEU . 88.5 p -158.43 158.94 35.13 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 119.482 -2.012 . . . . 0.0 108.848 -174.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.814 ' CD1' ' HE1' ' A' ' 37' ' ' TYR . 38.6 pt -140.69 169.9 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-O 123.515 1.626 . . . . 0.0 110.297 -165.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HB3' ' HD1' ' A' ' 75' ' ' PHE . 31.2 m-85 -117.34 133.53 55.87 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 127.208 2.203 . . . . 0.0 105.813 173.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.814 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 4.9 m-85 -102.4 131.23 49.19 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 118.259 -1.376 . . . . 0.0 108.133 166.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 7' ' ' LEU . 56.3 t80 -109.08 101.87 10.9 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.21 152.29 64.07 Favored Pre-proline 0 CA--C 1.484 -1.593 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.1 Cg_endo -63.54 145.6 92.03 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 O-C-N 124.536 1.808 . . . . 0.0 113.344 -128.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 m -68.03 -44.1 77.25 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 116.589 -2.044 . . . . 0.0 111.39 157.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.85 -43.75 71.27 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -164.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.53 -36.71 10.68 Favored 'General case' 0 C--O 1.2 -1.507 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.717 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.539 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 80.5 m-70 57.73 39.57 27.11 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 127.301 2.24 . . . . 0.0 109.524 -168.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.309 85.2 tttt -94.52 -55.33 3.19 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 118.702 2.853 . . . . 0.0 118.702 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 94.3 m-20 -61.83 -35.33 77.93 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.322 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 76' ' ' LEU . 57.2 ttm -65.12 -41.46 94.85 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.68 -42.61 83.98 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.397 1.57 . . . . 0.0 109.646 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.7 mttt -63.55 -38.41 91.01 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.722 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -57.04 -43.0 81.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 126.069 2.106 . . . . 0.0 113.676 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.91 -45.44 87.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 125.918 1.687 . . . . 0.0 109.3 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.92 -43.75 91.78 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 125.344 1.458 . . . . 0.0 113.606 173.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 20.9 m-30 -62.84 -37.37 86.55 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 118.377 -0.82 . . . . 0.0 111.214 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.04 ' CD2' HD22 ' A' ' 63' ' ' LEU . 16.8 m-85 -69.0 -40.07 78.96 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -165.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.62 -38.17 77.11 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.871 1.668 . . . . 0.0 114.603 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.53 -38.83 78.59 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.005 0.815 . . . . 0.0 109.628 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.705 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -116.28 142.17 47.19 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 5.1 77.85 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 125.696 1.617 . . . . 0.0 116.217 -157.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 69.4 m80 -104.28 22.48 14.74 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 114.799 -2.524 . . . . 0.0 112.829 -136.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -119.91 -136.49 0.33 Allowed 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 127.567 2.347 . . . . 0.0 108.131 -150.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 62' ' ' TYR . . . -145.57 -59.36 0.33 Allowed 'General case' 0 C--N 1.292 -1.926 0 O-C-N 116.454 -3.903 . . . . 0.0 100.918 141.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 87.2 m-85 -146.0 151.82 38.38 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 127.827 3.204 . . . . 0.0 116.237 -169.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 54' ' ' PHE . 53.7 tp -126.18 130.17 50.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.848 -1.782 . . . . 0.0 111.369 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -136.76 167.67 21.0 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 122.471 1.129 . . . . 0.0 113.748 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.69 166.54 17.13 Favored 'General case' 0 N--CA 1.438 -1.028 0 O-C-N 118.529 -2.607 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.713 ' O ' ' HB2' ' A' ' 69' ' ' SER . 88.2 t -87.01 145.55 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.959 0 C-N-CA 116.017 -2.273 . . . . 0.0 112.53 143.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -85.33 63.81 8.3 Favored 'General case' 0 C--O 1.198 -1.638 2 O-C-N 113.918 -5.489 . . . . 0.0 115.322 154.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.543 ' H ' HG12 ' A' ' 66' ' ' VAL . 26.8 m -109.64 11.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 117.529 -3.232 . . . . 0.0 108.5 138.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.713 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 70.1 m -121.4 13.57 11.05 Favored 'General case' 0 C--O 1.2 -1.509 0 C-N-CA 128.412 2.685 . . . . 0.0 109.996 -152.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -67.36 -60.01 2.94 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 123.09 1.424 . . . . 0.0 109.813 127.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.56 -42.24 87.41 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 127.23 2.212 . . . . 0.0 115.459 -157.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -130.57 -19.73 3.0 Favored 'General case' 0 C--O 1.211 -0.957 0 O-C-N 125.001 1.438 . . . . 0.0 112.518 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.581 ' H ' ' HA ' ' A' ' 69' ' ' SER . 98.5 mttt 56.51 41.06 29.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 170.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.45 -34.51 7.79 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 58.9 m-85 -114.13 133.22 55.71 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 118.617 -1.233 . . . . 0.0 111.009 -161.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 47' ' ' MET . 91.5 mt -106.84 134.28 50.23 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 127.058 2.143 . . . . 0.0 109.897 168.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.697 ' CE2' HD21 ' A' ' 79' ' ' LEU . 67.4 t80 -107.14 109.99 21.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 127.114 2.166 . . . . 0.0 109.339 -167.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 57.8 tt0 -133.76 118.9 18.6 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 109.965 -154.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 34' ' ' SER . 64.3 mt -119.17 131.53 55.87 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -162.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.684 ' CE1' HD23 ' A' ' 24' ' ' LEU . 12.6 m170 -110.97 122.16 47.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.5 mt 61.62 -41.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 125.037 1.335 . . . . 0.0 107.772 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.8 mt . . . . . 0 CA--C 1.578 2.044 1 O-C-N 112.102 -6.623 . . . . 0.0 110.372 -158.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.163 -3.475 1 CA-C-O 129.103 4.287 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -65.88 -43.24 88.91 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 116.605 -3.809 . . . . 0.0 119.331 -168.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.563 ' SD ' ' O ' ' A' ' 3' ' ' MET . 8.6 tmm? -158.61 59.34 0.44 Allowed 'General case' 0 C--O 1.156 -3.827 0 N-CA-C 102.157 -3.275 . . . . 0.0 102.157 147.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HE3' ' HD2' ' A' ' 33' ' ' ARG . 74.1 mmtt 53.87 42.81 31.61 Favored 'General case' 0 N--CA 1.444 -0.759 1 O-C-N 114.059 -5.4 . . . . 0.0 119.037 170.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 pp -137.01 155.24 49.95 Favored 'General case' 0 CA--C 1.468 -2.199 0 C-N-CA 115.427 -2.509 . . . . 0.0 113.357 -170.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.715 HG13 ' CG1' ' A' ' 19' ' ' VAL . 57.7 t -112.31 133.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 O-C-N 127.292 2.87 . . . . 0.0 103.588 -173.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.9 mt -115.39 138.92 50.48 Favored 'General case' 0 C--O 1.16 -3.641 0 CA-C-N 122.105 2.229 . . . . 0.0 107.461 173.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -64.47 143.41 57.93 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 127.5 2.32 . . . . 0.0 112.868 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.935 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -81.03 -20.22 42.19 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 177.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -62.02 -40.26 95.08 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 121.139 1.791 . . . . 0.0 110.414 -167.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -97.68 -43.43 7.19 Favored 'General case' 0 CA--C 1.49 -1.351 0 O-C-N 118.384 -2.698 . . . . 0.0 105.884 -167.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -91.16 -49.02 6.62 Favored 'General case' 0 C--N 1.381 1.962 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 88.5 tttt 48.82 57.07 6.77 Favored 'General case' 0 CA--C 1.495 -1.155 0 C-N-CA 125.623 1.569 . . . . 0.0 110.383 177.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.2 p -95.11 -47.21 6.47 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 115.157 -2.617 . . . . 0.0 117.893 166.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 39.9 p-10 -146.34 1.6 0.84 Allowed 'General case' 0 C--N 1.283 -2.313 0 C-N-CA 129.009 2.923 . . . . 0.0 113.953 162.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -62.87 -36.63 83.91 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 118.362 -2.711 . . . . 0.0 108.491 -139.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 88.2 tttt -55.57 143.96 28.05 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 129.816 3.246 . . . . 0.0 113.466 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.9 m 65.9 7.75 4.86 Favored 'General case' 0 N--CA 1.487 1.382 1 O-C-N 129.487 4.242 . . . . 0.0 114.278 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.715 ' CG1' HG13 ' A' ' 6' ' ' VAL . 7.1 p -62.79 -34.4 65.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 O-C-N 126.562 2.414 . . . . 0.0 114.558 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.893 ' O ' HD13 ' A' ' 24' ' ' LEU . 15.1 pm0 -62.52 -38.53 90.31 Favored 'General case' 0 C--O 1.199 -1.559 0 O-C-N 119.239 -2.163 . . . . 0.0 106.218 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 89.6 mt -66.61 -44.27 82.56 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 118.36 -2.713 . . . . 0.0 107.291 -164.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.59 -42.19 98.3 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.91 -36.94 82.81 Favored 'General case' 0 CA--C 1.467 -2.24 0 C-N-CA 115.889 -2.324 . . . . 0.0 107.842 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 20' ' ' GLU . 10.9 mp -55.58 -63.66 1.1 Allowed 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 123.559 0.744 . . . . 0.0 112.049 -175.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -59.6 -46.34 89.23 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -173.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -78.48 -39.82 37.21 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 125.619 1.824 . . . . 0.0 114.218 -165.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.53 -42.93 97.5 Favored 'General case' 0 CA--C 1.467 -2.224 0 C-N-CA 126.888 2.075 . . . . 0.0 108.709 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.93 -57.07 13.15 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 127.197 2.199 . . . . 0.0 112.287 178.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -61.4 -46.44 90.14 Favored 'General case' 0 CA--C 1.469 -2.144 0 O-C-N 125.542 1.776 . . . . 0.0 108.883 -172.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -71.57 -45.76 61.34 Favored 'General case' 0 N--CA 1.429 -1.499 0 O-C-N 127.286 2.866 . . . . 0.0 115.422 -175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -151.86 152.59 32.8 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 119.691 -1.88 . . . . 0.0 114.811 -166.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HG2' HG21 ' A' ' 81' ' ' ILE . 98.3 mttt -93.73 107.52 19.39 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 117.188 -3.445 . . . . 0.0 113.591 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.8 ' HG3' ' H ' ' A' ' 34' ' ' SER . 24.7 tpp180 -170.07 -178.66 2.92 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 117.591 -3.193 . . . . 0.0 105.974 -135.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.8 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 32.8 t -166.63 160.99 15.55 Favored 'General case' 0 C--N 1.266 -3.046 1 O-C-N 115.712 -4.367 . . . . 0.0 100.959 -155.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.461 HG13 ' HB3' ' A' ' 78' ' ' GLU . 47.4 pt -146.68 171.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 39.3 m-85 -124.1 118.7 27.5 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 1.1 t80 -88.55 114.88 25.62 Favored 'General case' 0 CA--C 1.611 3.322 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 165.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.861 ' HB2' HD23 ' A' ' 7' ' ' LEU . 90.7 m-85 -91.99 97.86 11.21 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 129.181 2.993 . . . . 0.0 111.044 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -139.82 146.12 45.78 Favored Pre-proline 0 C--N 1.296 -1.724 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.243 -172.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -69.7 151.31 69.39 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 115.174 -2.75 . . . . 0.0 111.724 -121.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.451 ' O ' ' CE1' ' A' ' 44' ' ' HIS . 99.7 m -64.08 -44.87 91.07 Favored 'General case' 0 CA--C 1.466 -2.271 0 O-C-N 126.037 2.085 . . . . 0.0 114.258 163.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -67.65 -45.31 75.67 Favored 'General case' 0 C--O 1.157 -3.8 1 C-N-CA 132.814 4.446 . . . . 0.0 116.183 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -99.41 -35.59 9.86 Favored 'General case' 0 C--N 1.362 1.141 0 O-C-N 116.742 -3.724 . . . . 0.0 115.418 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 41' ' ' THR . 83.0 m-70 65.63 24.7 11.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.151 2.98 . . . . 0.0 110.48 -167.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 97.3 mttt -94.19 -51.35 4.86 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -171.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.642 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 88.2 m-20 -61.04 -37.93 84.36 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 125.213 1.571 . . . . 0.0 106.799 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.735 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.5 ttp -64.46 -44.96 89.41 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.57 -36.57 84.22 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.64 -34.21 77.32 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.67 -44.17 90.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.19 -44.81 96.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.8 -41.93 99.49 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.202 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.81 -43.28 96.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 117.888 0.313 . . . . 0.0 111.343 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.8 ' CD2' HD12 ' A' ' 63' ' ' LEU . 14.2 m-85 -65.62 -37.24 86.01 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 125.474 1.733 . . . . 0.0 110.752 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.55 -45.37 94.14 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.711 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.06 -38.15 85.17 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 116.299 -1.81 . . . . 0.0 113.088 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 59' ' ' HIS . 99.4 mttt -112.93 140.6 47.6 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 125.247 1.592 . . . . 0.0 114.647 176.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.36 13.94 65.11 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 127.414 2.435 . . . . 0.0 116.111 -162.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 91.7 m-70 -61.37 -25.09 66.94 Favored 'General case' 0 C--O 1.205 -1.277 0 C-N-CA 129.18 2.992 . . . . 0.0 106.446 -169.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.7 p -77.87 -149.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 104.247 -2.501 . . . . 0.0 104.247 -135.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.587 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -125.96 -44.61 1.77 Allowed 'General case' 0 C--N 1.285 -2.203 1 O-C-N 113.929 -5.482 . . . . 0.0 110.239 119.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -145.75 156.19 43.45 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.883 1.365 . . . . 0.0 113.033 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.81 ' C ' HD23 ' A' ' 63' ' ' LEU . 4.6 tt -133.18 137.94 46.38 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 156.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.612 ' N ' HD23 ' A' ' 63' ' ' LEU . 49.5 t0 -150.58 162.14 41.22 Favored 'General case' 0 C--N 1.372 1.567 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.0 166.12 4.92 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 117.69 -3.131 . . . . 0.0 112.353 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 68' ' ' VAL . 99.4 t -97.46 131.36 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 117.964 -1.494 . . . . 0.0 110.874 145.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HA ' ' H ' ' A' ' 69' ' ' SER . 39.6 mmt180 -87.45 57.07 4.22 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.512 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.1 m -97.36 13.88 3.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 C-N-CA 127.931 2.493 . . . . 0.0 107.552 131.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 95.0 p -62.34 -46.19 89.81 Favored 'General case' 0 CA--C 1.479 -1.755 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 p -58.83 -41.64 87.38 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 124.625 1.17 . . . . 0.0 108.435 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.26 -42.03 62.98 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 127.073 2.149 . . . . 0.0 116.772 173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' THR . 98.3 mt-10 -119.13 -41.82 2.72 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -171.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.8 mttt 50.64 31.09 5.4 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 127.984 2.514 . . . . 0.0 114.972 -166.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 75' ' ' PHE . 32.5 p-10 -91.52 -2.42 57.19 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 171.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 1.2 t80 -134.61 108.39 8.03 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 122.522 2.419 . . . . 0.0 108.246 -134.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.735 HD11 ' HG3' ' A' ' 47' ' ' MET . 96.4 mt -109.88 127.65 54.85 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.082 -1.636 . . . . 0.0 111.676 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' HB2' HG23 ' A' ' 66' ' ' VAL . 7.9 t80 -101.5 119.71 39.19 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 119.943 -1.723 . . . . 0.0 106.384 -171.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.693 ' C ' HD12 ' A' ' 79' ' ' LEU . 6.5 tm-20 -133.41 123.4 25.25 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.095 -1.628 . . . . 0.0 107.646 -159.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 82' ' ' ILE . 3.6 mp -117.09 133.1 56.42 Favored 'General case' 0 CA--C 1.483 -1.604 0 CA-C-O 116.822 -1.561 . . . . 0.0 110.461 -168.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.471 ' CE1' ' HG ' ' A' ' 24' ' ' LEU . 98.5 m-70 -113.37 130.25 56.33 Favored 'General case' 0 C--N 1.372 1.562 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -169.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.903 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 71.1 mt 41.64 48.5 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.165 0 C-N-CA 115.347 -2.541 . . . . 0.0 116.753 -170.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.858 HD13 HD23 ' A' ' 79' ' ' LEU . 11.2 tp . . . . . 0 C--O 1.167 -3.274 0 O-C-N 118.035 -2.916 . . . . 0.0 113.302 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.537 ' HB2' ' ND1' ' A' ' 2' ' ' HIS . 80.4 p . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.537 ' ND1' ' HB2' ' A' ' 1' ' ' SER . 46.1 m80 64.65 36.82 8.09 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 163.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.0 mtp -62.43 -42.71 99.65 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 130.005 3.322 . . . . 0.0 116.066 154.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.589 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 94.8 mttt 58.6 25.94 13.83 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 117.868 -1.533 . . . . 0.0 113.52 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.7 pp -145.94 154.43 41.91 Favored 'General case' 0 N--CA 1.405 -2.692 0 C-N-CA 117.007 -1.877 . . . . 0.0 112.554 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.955 ' CG2' HD11 ' A' ' 35' ' ' ILE . 53.3 t -125.23 104.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 113.483 -1.689 . . . . 0.0 108.617 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.536 HD22 ' HD2' ' A' ' 12' ' ' ARG . 88.8 mt -71.59 142.39 50.0 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 124.212 1.958 . . . . 0.0 112.622 164.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.82 140.81 57.52 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.49 153.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . 87.4 tttt -56.8 -48.67 77.43 Favored 'General case' 0 C--O 1.204 -1.329 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 159.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.658 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 98.4 m-20 -63.75 -42.54 97.84 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.23 -0.89 . . . . 0.0 112.896 -152.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 40' ' ' PRO . 34.8 p -83.13 -35.59 25.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 120.32 1.418 . . . . 0.0 113.806 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HD2' HD22 ' A' ' 7' ' ' LEU . 74.3 mtt85 -107.53 -20.74 13.15 Favored 'General case' 0 C--O 1.193 -1.902 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -166.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.539 ' HE3' ' O ' ' A' ' 10' ' ' ASN . 98.6 mttt 54.47 40.39 31.77 Favored 'General case' 0 C--O 1.216 -0.679 1 O-C-N 116.041 -4.162 . . . . 0.0 117.601 156.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.0 p -103.22 -67.41 0.88 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 117.16 -1.816 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -142.95 2.31 1.33 Allowed 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 129.038 2.935 . . . . 0.0 113.06 163.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.12 -13.8 62.36 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 118.999 -2.313 . . . . 0.0 114.675 -142.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 88.2 tttt -58.04 146.14 33.89 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.358 3.463 . . . . 0.0 115.905 -170.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 m 65.75 3.16 2.38 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 127.322 2.249 . . . . 0.0 112.648 171.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.883 ' CG1' HG13 ' A' ' 6' ' ' VAL . 9.5 p -64.55 -35.79 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 C-N-CA 129.007 2.923 . . . . 0.0 109.16 -172.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -46.41 85.01 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.682 HD21 ' HB3' ' A' ' 53' ' ' PHE . 93.0 mt -62.25 -46.97 86.46 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 117.685 -1.606 . . . . 0.0 109.22 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -62.89 -40.46 97.61 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' OD2' HG22 ' A' ' 19' ' ' VAL . 99.2 m-20 -68.11 -33.02 73.74 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.605 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 83.3 mt -58.03 -51.9 67.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 119.927 1.24 . . . . 0.0 109.029 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -60.64 -44.77 95.99 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.934 0.873 . . . . 0.0 110.104 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -85.48 -36.41 20.58 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 120.003 -1.686 . . . . 0.0 112.928 -169.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.561 ' OE2' ' HD2' ' A' ' 33' ' ' ARG . 48.3 mt-10 -60.29 -42.99 96.63 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 2.2 t80 -61.17 -48.81 79.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 117.797 0.271 . . . . 0.0 110.728 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -66.07 -41.34 90.9 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.629 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -81.62 -57.38 3.48 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 122.76 1.266 . . . . 0.0 108.329 -167.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -136.09 156.69 48.34 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 127.008 2.123 . . . . 0.0 114.742 -161.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HE2' HD13 ' A' ' 81' ' ' ILE . 98.4 mttt -108.99 123.74 49.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 116.71 -3.744 . . . . 0.0 113.593 169.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 32.0 ttm180 -166.18 172.57 11.09 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 119.884 -1.76 . . . . 0.0 110.263 -140.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.841 ' HB2' HD23 ' A' ' 79' ' ' LEU . 86.6 p -133.22 159.01 41.43 Favored 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 118.574 -2.579 . . . . 0.0 108.445 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.955 HD11 ' CG2' ' A' ' 6' ' ' VAL . 16.8 tt -123.83 147.68 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.968 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.62 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -101.2 124.01 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 129.0 2.92 . . . . 0.0 112.301 160.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.737 ' CD2' HD12 ' A' ' 76' ' ' LEU . 77.4 t80 -119.17 118.38 31.19 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.155 -1.591 . . . . 0.0 112.282 -172.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 30.3 m-85 -112.48 85.0 2.07 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 127.693 2.397 . . . . 0.0 108.59 -161.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.68 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -132.88 140.39 37.5 Favored Pre-proline 0 CA--C 1.492 -1.262 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.06 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 10' ' ' ASN . 99.8 Cg_exo -60.38 143.96 99.5 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 N-CA-C 115.847 1.441 . . . . 0.0 115.847 -129.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.5 m -64.53 -38.68 91.86 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 123.132 1.444 . . . . 0.0 110.435 166.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -68.47 -40.19 81.11 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.201 1.4 . . . . 0.0 113.006 -167.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.53 -32.1 7.02 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 63.09 24.89 14.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.497 2.719 . . . . 0.0 114.194 -170.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -92.0 -56.55 3.03 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 124.58 1.152 . . . . 0.0 113.84 -163.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.488 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 80.5 m-20 -62.2 -35.9 80.28 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.633 174.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.428 ' HA ' ' HE2' ' A' ' 37' ' ' TYR . 63.7 ttp -64.53 -42.93 95.43 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.54 -42.12 91.63 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.387 0.675 . . . . 0.0 110.549 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.95 -39.74 90.66 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -59.49 -39.91 85.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.826 1.25 . . . . 0.0 112.343 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.68 -44.25 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 121.356 -0.84 . . . . 0.0 111.398 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -63.59 -42.74 98.24 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.682 ' HB3' HD21 ' A' ' 21' ' ' LEU . 18.3 m-30 -57.53 -40.31 78.51 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 119.043 0.838 . . . . 0.0 112.466 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' HZ ' ' HA ' ' A' ' 62' ' ' TYR . 44.9 t80 -67.88 -42.76 80.74 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 -167.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.61 -44.26 97.32 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.206 -1.816 . . . . 0.0 111.154 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -57.61 -46.36 84.17 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 115.734 -2.079 . . . . 0.0 110.632 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HD2' HD22 ' A' ' 21' ' ' LEU . 98.8 mttt -117.86 142.34 47.42 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 127.939 2.496 . . . . 0.0 115.802 -166.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -96.51 31.89 7.05 Favored Glycine 0 C--O 1.204 -1.73 0 C-N-CA 129.133 3.254 . . . . 0.0 118.97 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.1 m-70 -96.99 -39.76 9.2 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.608 2.704 . . . . 0.0 117.014 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 78' ' ' GLU . 82.7 m -63.1 153.19 34.96 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 126.103 2.859 . . . . 0.0 112.667 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.72 -42.2 42.25 Favored 'General case' 0 CA--C 1.49 -1.329 0 O-C-N 117.388 -3.32 . . . . 0.0 114.062 166.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' N ' HG22 ' A' ' 60' ' ' THR . 62.9 t80 -157.23 154.41 29.14 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -177.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 62.5 tp -123.09 125.31 44.95 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.573 -0.705 . . . . 0.0 109.579 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 52.4 t0 -142.03 155.94 45.42 Favored 'General case' 0 C--N 1.365 1.251 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 160.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.51 153.2 23.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HB3' ' A' ' 69' ' ' SER . 19.8 m -71.65 159.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 124.611 2.148 . . . . 0.0 107.913 158.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -101.51 8.49 41.95 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.885 2.474 . . . . 0.0 112.905 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' A' ' 66' ' ' VAL . 17.0 m -77.97 -0.47 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.205 147.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.545 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 56.8 p -62.41 -38.29 89.11 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 -171.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.2 m -62.08 -40.11 94.71 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 121.742 0.782 . . . . 0.0 111.548 -169.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.84 -56.05 18.27 Favored 'General case' 0 N--CA 1.414 -2.229 0 CA-C-N 112.559 -2.109 . . . . 0.0 115.987 168.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -125.75 -21.9 4.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 121.417 -0.802 . . . . 0.0 112.715 -153.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 55.02 43.16 30.24 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.2 -46.83 4.5 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 118.194 -1.402 . . . . 0.0 114.208 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.0 m-85 -109.42 128.6 55.27 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 122.317 1.056 . . . . 0.0 109.316 -152.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' CD2' ' A' ' 37' ' ' TYR . 92.2 mt -96.57 141.62 29.61 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 119.952 -1.718 . . . . 0.0 110.321 161.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CZ ' HD21 ' A' ' 79' ' ' LEU . 2.0 t80 -112.03 101.76 10.03 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 177.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.71 ' CG ' HG21 ' A' ' 60' ' ' THR . 86.9 tt0 -114.98 140.99 48.59 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -172.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' ' 34' ' ' SER . 96.4 mt -124.38 122.23 37.12 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 42.7 m170 -109.47 124.76 51.59 Favored 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 119.319 -2.113 . . . . 0.0 110.123 -157.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.563 HD13 ' HE2' ' A' ' 32' ' ' LYS . 93.9 mt 45.65 -45.43 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.617 0 CA-C-O 115.219 -2.324 . . . . 0.0 116.742 -155.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 34' ' ' SER . 41.4 pt . . . . . 0 C--O 1.209 -1.048 0 CA-C-N 125.102 3.592 . . . . 0.0 112.734 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.452 ' HE1' HD11 ' A' ' 35' ' ' ILE . 74.5 t60 -112.47 118.96 36.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.693 1.235 . . . . 0.0 112.041 171.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.2 mtp -122.0 33.49 5.46 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.67 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HE2' ' HG3' ' A' ' 33' ' ' ARG . 95.5 mttt 57.84 22.08 8.21 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.88 HD23 ' HB2' ' A' ' 36' ' ' PHE . 46.9 mt -124.33 149.58 46.42 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.756 HG21 ' OE1' ' A' ' 20' ' ' GLU . 83.6 t -123.42 144.24 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 125.683 1.864 . . . . 0.0 107.394 162.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 38' ' ' PHE . 82.5 mt -108.98 148.41 30.78 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 122.974 1.369 . . . . 0.0 109.906 174.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -63.77 158.47 21.7 Favored 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 124.782 1.233 . . . . 0.0 111.732 166.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.857 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -86.17 -26.15 25.3 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 118.852 -2.405 . . . . 0.0 113.464 166.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.408 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 58.3 m-20 -64.81 -38.86 92.41 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 123.379 2.809 . . . . 0.0 111.893 -154.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -103.57 -29.51 11.08 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 117.571 -1.204 . . . . 0.0 113.392 -168.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -101.86 -41.87 6.35 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 120.275 1.398 . . . . 0.0 112.953 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 90.3 mttt 48.06 47.92 18.62 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.617 1.567 . . . . 0.0 112.645 178.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.2 p -82.44 -56.25 4.0 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 121.319 1.872 . . . . 0.0 113.443 173.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 -152.18 6.29 0.43 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.95 1.7 . . . . 0.0 113.273 155.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.26 67.05 9.47 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 124.69 2.185 . . . . 0.0 108.388 -160.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.625 ' HG3' ' HD2' ' A' ' 9' ' ' LYS . 87.3 tttt -128.24 137.6 52.08 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 125.824 1.65 . . . . 0.0 106.689 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 m 64.55 13.89 8.55 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.97 -40.85 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 C-N-CA 125.936 1.694 . . . . 0.0 112.021 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.756 ' OE1' HG21 ' A' ' 6' ' ' VAL . 27.5 tp10 -61.3 -43.41 98.92 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' A' ' 24' ' ' LEU . 77.2 mt -56.76 -48.65 77.38 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 120.301 -1.499 . . . . 0.0 113.434 -172.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.72 -39.1 90.83 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 169.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -68.93 -31.84 71.02 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-N 120.553 1.524 . . . . 0.0 109.197 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.916 HD23 ' NE2' ' A' ' 80' ' ' HIS . 43.3 mt -53.18 -57.29 10.97 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 119.041 0.837 . . . . 0.0 109.196 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.87 -50.13 70.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 122.718 1.247 . . . . 0.0 111.14 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.427 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 39.3 t-80 -67.68 -46.76 71.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.512 -172.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.34 -40.75 98.15 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -65.93 -44.13 86.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.963 1.305 . . . . 0.0 112.19 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE1' ' CE1' ' A' ' 26' ' ' HIS . 84.1 tt0 -78.55 -46.35 19.68 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.166 0.587 . . . . 0.0 110.769 -175.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.68 165.49 27.26 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 122.627 1.203 . . . . 0.0 112.929 -170.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -114.78 104.3 11.82 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.693 -1.255 . . . . 0.0 113.929 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HE2' ' A' ' 4' ' ' LYS . 35.6 ttm180 -157.21 161.3 39.26 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.711 -0.618 . . . . 0.0 112.352 -142.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 55.3 p -126.17 153.04 45.18 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' LYS . 37.2 mm -114.94 145.71 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 C-N-CA 128.892 2.877 . . . . 0.0 110.31 -171.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.88 ' HB2' HD23 ' A' ' 5' ' ' LEU . 62.0 m-85 -108.02 127.93 54.2 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.625 160.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.565 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 71.2 t80 -110.04 112.73 24.91 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -169.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.7 t80 -101.96 105.61 16.42 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 122.26 1.029 . . . . 0.0 108.758 -172.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -150.8 141.59 14.78 Favored Pre-proline 0 N--CA 1.443 -0.823 0 O-C-N 120.394 -1.441 . . . . 0.0 113.721 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 62.9 Cg_exo -62.47 143.53 93.35 Favored 'Trans proline' 0 N--CA 1.442 -1.545 0 C-N-CA 118.015 -0.857 . . . . 0.0 112.819 -118.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 72' ' ' GLU . 75.1 m -56.12 -41.77 75.82 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.546 2.117 . . . . 0.0 108.483 164.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -69.9 -41.08 75.19 Favored 'General case' 0 CA--C 1.491 -1.32 0 CA-C-N 112.273 -2.239 . . . . 0.0 111.852 -168.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -118.95 -26.42 6.01 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 119.032 -1.067 . . . . 0.0 112.21 -172.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 55.71 32.17 18.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.152 1.381 . . . . 0.0 111.157 -170.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -97.11 -54.11 3.28 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 120.885 -1.135 . . . . 0.0 113.853 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.6 m-20 -59.3 -34.9 72.87 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.705 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 66.3 ttp -71.11 -44.63 65.27 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 124.759 1.223 . . . . 0.0 113.761 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.99 -41.23 97.81 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.66 -35.42 77.92 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -60.19 -41.99 94.11 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -54.35 -42.13 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-O 122.345 1.069 . . . . 0.0 109.442 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -68.31 -44.12 76.14 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 114.254 -1.339 . . . . 0.0 114.057 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -53.86 -38.84 65.12 Favored 'General case' 0 N--CA 1.428 -1.532 0 O-C-N 124.351 1.032 . . . . 0.0 110.362 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.089 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.8 m-85 -77.18 -35.56 55.75 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-O 122.842 1.306 . . . . 0.0 108.685 -158.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.97 -37.93 82.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 CA-C-O 114.131 -2.842 . . . . 0.0 112.076 168.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.27 -27.1 66.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 122.051 2.205 . . . . 0.0 115.158 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -114.53 143.43 44.99 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.899 -1.126 . . . . 0.0 113.921 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.95 -31.2 80.14 Favored Glycine 0 CA--C 1.552 2.387 0 N-CA-C 119.118 2.407 . . . . 0.0 119.118 -171.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -64.99 -42.42 94.53 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 120.879 2.34 . . . . 0.0 116.953 -147.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.497 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 9.9 t -57.1 146.15 28.58 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.469 169.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.25 -59.05 2.4 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 169.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.9 ' HB2' HD21 ' A' ' 79' ' ' LEU . 97.4 m-85 -131.65 158.29 41.46 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.035 -172.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.089 HD22 ' HD2' ' A' ' 54' ' ' PHE . 48.6 tp -134.63 128.95 34.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 164.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -140.69 162.42 35.45 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.982 1.313 . . . . 0.0 113.177 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -93.57 144.33 25.48 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 118.335 -2.728 . . . . 0.0 109.63 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 68' ' ' VAL . 60.7 t -84.76 138.93 18.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 120.595 -1.316 . . . . 0.0 110.181 174.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 26.1 mmm180 -103.57 25.72 9.36 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 120.321 -1.487 . . . . 0.0 114.241 -174.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 66' ' ' VAL . 20.2 m -82.96 22.55 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-O 123.519 1.628 . . . . 0.0 109.855 139.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 19.7 p -62.16 -31.23 71.71 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 119.889 -1.757 . . . . 0.0 112.724 171.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.7 p -60.69 -41.05 94.36 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -77.17 -35.1 56.17 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 114.262 -2.78 . . . . 0.0 118.386 -171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 41' ' ' THR . 98.1 mt-10 -131.52 -42.37 1.05 Allowed 'General case' 0 N--CA 1.481 1.107 0 O-C-N 126.446 2.341 . . . . 0.0 113.806 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' H ' ' HA ' ' A' ' 69' ' ' SER . 84.0 tttt 49.92 38.18 15.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.189 1.795 . . . . 0.0 111.651 -172.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -123.83 5.04 8.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.682 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -108.64 124.09 49.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.858 1.208 . . . . 0.0 113.617 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 69.6 mt -88.33 147.26 24.85 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.618 152.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 56.0 t80 -105.45 110.57 22.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.482 1.913 . . . . 0.0 105.855 162.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 74.1 tt0 -114.82 148.32 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD21 ' HB2' ' A' ' 62' ' ' TYR . 1.2 pt? -134.88 136.53 42.46 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 119.413 -0.915 . . . . 0.0 111.384 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.916 ' NE2' HD23 ' A' ' 24' ' ' LEU . 75.4 m80 -108.16 122.87 47.8 Favored 'General case' 0 CA--C 1.495 -1.154 0 O-C-N 124.5 1.125 . . . . 0.0 109.201 -167.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' ILE . 20.1 tt 20.21 82.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 126.131 2.144 . . . . 0.0 115.088 -156.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 79' ' ' LEU . 20.1 tt . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 124.862 1.265 . . . . 0.0 114.228 165.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.2 p . . . . . 0 CA--C 1.472 -2.05 0 CA-C-O 112.701 -3.524 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -125.06 134.68 52.43 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 126.549 2.406 . . . . 0.0 116.4 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -108.85 -45.88 3.73 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 118.911 2.93 . . . . 0.0 118.911 -172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.804 ' HA ' HH22 ' A' ' 33' ' ' ARG . 99.4 mttt -125.73 16.37 8.09 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 157.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.846 HD23 ' HB2' ' A' ' 36' ' ' PHE . 77.5 mt -125.96 151.04 47.55 Favored 'General case' 0 CA--C 1.475 -1.933 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.005 HG21 ' OE1' ' A' ' 20' ' ' GLU . 59.8 t -124.57 142.53 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 O-C-N 125.694 1.871 . . . . 0.0 107.083 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.573 HD12 HH11 ' A' ' 12' ' ' ARG . 92.1 mt -108.3 143.0 37.75 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.94 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -57.02 155.21 8.5 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 125.147 1.379 . . . . 0.0 111.125 159.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HE2' ' OD1' ' A' ' 46' ' ' ASP . 65.2 pttt -64.96 -40.89 95.67 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 119.623 -1.923 . . . . 0.0 113.724 169.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.93 -37.34 81.98 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.488 1.915 . . . . 0.0 109.228 -162.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -93.2 -44.5 8.31 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -157.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.702 ' HG2' ' H ' ' A' ' 14' ' ' SER . 72.6 ttt180 -103.08 -51.73 3.19 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 128.487 2.715 . . . . 0.0 109.994 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -11.3 84.64 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.922 2.146 . . . . 0.0 116.404 -133.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.702 ' H ' ' HG2' ' A' ' 12' ' ' ARG . 99.6 p -65.63 -55.38 17.85 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.645 -1.909 . . . . 0.0 114.151 149.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -138.02 -4.5 1.73 Allowed 'General case' 0 C--N 1.267 -2.986 0 C-N-CA 128.573 2.749 . . . . 0.0 113.874 164.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.39 9.31 13.58 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -134.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HG3' ' HB3' ' A' ' 9' ' ' LYS . 88.0 tttt -75.88 137.23 40.28 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 110.474 -3.057 . . . . 0.0 113.099 -169.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m 65.67 15.78 10.2 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.02 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -34.57 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 CA-C-O 116.07 -1.919 . . . . 0.0 114.325 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 1.005 ' OE1' HG21 ' A' ' 6' ' ' VAL . 38.5 tp10 -58.31 -45.36 88.16 Favored 'General case' 1 C--O 1.132 -5.117 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 53' ' ' PHE . 97.2 mt -60.79 -49.12 78.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.78 -37.56 87.16 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 117.779 -1.105 . . . . 0.0 111.109 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.48 -36.27 73.76 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-O 116.206 -1.854 . . . . 0.0 111.214 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 96.7 mt -49.49 -56.58 9.3 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.02 -52.5 59.2 Favored 'General case' 0 N--CA 1.437 -1.087 0 O-C-N 120.937 -1.102 . . . . 0.0 112.665 -175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.84 -36.53 56.76 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.329 -0.948 . . . . 0.0 113.221 -172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.757 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 83.8 mt-10 -64.41 -40.37 95.65 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.9 t80 -61.1 -51.21 70.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 122.409 1.099 . . . . 0.0 112.898 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.2 p -63.88 -42.53 97.47 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 121.156 -0.965 . . . . 0.0 108.765 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -74.16 -49.35 24.05 Favored 'General case' 0 C--O 1.273 2.292 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -172.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -154.75 160.35 41.26 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 122.001 0.905 . . . . 0.0 113.246 -172.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HA ' HD12 ' A' ' 81' ' ' ILE . 64.4 pttt -106.57 117.26 33.58 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.804 HH22 ' HA ' ' A' ' 4' ' ' LYS . 10.1 ptm180 -160.93 -175.13 4.75 Favored 'General case' 0 CA--C 1.477 -1.831 0 O-C-N 120.451 -1.405 . . . . 0.0 109.672 -144.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.466 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 86.2 p -149.77 164.39 35.42 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.752 HG22 ' NH2' ' A' ' 33' ' ' ARG . 1.4 pp -134.69 164.36 34.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -176.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.846 ' HB2' HD23 ' A' ' 5' ' ' LEU . 72.6 m-85 -114.83 124.48 51.85 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 114.757 -1.11 . . . . 0.0 113.87 157.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -102.1 115.27 30.19 Favored 'General case' 0 CA--C 1.491 -1.305 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -172.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 3.6 t80 -93.06 103.28 15.59 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 124.394 1.078 . . . . 0.0 108.849 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -134.84 143.92 48.33 Favored Pre-proline 0 CA--C 1.465 -2.299 0 O-C-N 119.364 -2.085 . . . . 0.0 109.084 -177.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 74.1 Cg_endo -62.92 152.43 79.13 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 115.678 -2.414 . . . . 0.0 116.941 -129.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.7 m -68.69 -40.68 79.94 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 161.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.9 -43.72 78.62 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 115.506 -2.188 . . . . 0.0 115.41 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.52 -26.46 11.4 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 122.278 2.308 . . . . 0.0 116.013 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.87 20.73 12.39 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.578 2.351 . . . . 0.0 111.009 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -93.3 -53.17 4.2 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 119.695 -1.878 . . . . 0.0 112.583 -163.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.94 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 64.2 m-20 -64.2 -35.62 81.41 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 175.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 65.0 ttp -61.96 -46.91 87.2 Favored 'General case' 0 CA--C 1.56 1.352 0 O-C-N 124.449 1.093 . . . . 0.0 113.731 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.38 -37.36 86.77 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.238 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.29 -35.67 81.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.647 -1.221 . . . . 0.0 112.069 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -55.94 -40.17 72.77 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.65 -49.13 46.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 124.292 0.995 . . . . 0.0 111.583 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 98.1 m-20 -75.63 -40.05 56.83 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 116.767 -1.587 . . . . 0.0 109.36 179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m-30 -63.78 -37.88 89.03 Favored 'General case' 0 CA--C 1.476 -1.89 0 C-N-CA 118.036 -1.466 . . . . 0.0 110.845 -177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.951 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.0 m-30 -61.7 -43.46 98.81 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 125.83 1.956 . . . . 0.0 109.991 -176.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.81 -42.65 85.55 Favored 'General case' 0 CA--C 1.48 -1.749 0 C-N-CA 124.131 0.972 . . . . 0.0 112.573 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 95.3 mt-10 -59.71 -29.11 67.89 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-O 125.664 2.65 . . . . 0.0 111.523 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.99 146.1 29.51 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 117.038 -3.539 . . . . 0.0 112.877 171.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.5 -11.21 85.08 Favored Glycine 1 C--O 1.167 -4.076 0 N-CA-C 120.92 3.128 . . . . 0.0 120.92 -173.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -65.87 -44.22 86.02 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.0 t -67.3 148.46 51.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.12 -45.73 8.51 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 165.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.788 ' HD2' HD13 ' A' ' 79' ' ' LEU . 78.8 t80 -144.25 120.85 11.11 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -153.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.951 HD22 ' HD2' ' A' ' 54' ' ' PHE . 63.2 tp -119.19 136.43 54.2 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 172.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -152.39 171.76 17.54 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -72.64 162.83 28.98 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.337 -2.102 . . . . 0.0 110.264 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 69' ' ' SER . 18.7 m -80.39 163.87 3.28 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.858 0 CA-C-O 124.045 1.879 . . . . 0.0 108.907 147.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -72.84 -31.32 64.68 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 129.205 3.002 . . . . 0.0 116.417 167.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 66' ' ' VAL . 30.0 m -62.85 -9.29 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.367 -1.458 . . . . 0.0 111.234 161.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 66.3 m -59.78 -43.08 94.57 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 116.553 -1.689 . . . . 0.0 111.468 171.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.2 p -62.15 -38.31 88.52 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 123.068 2.667 . . . . 0.0 109.271 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.53 -42.47 78.41 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -125.21 -26.15 3.7 Favored 'General case' 0 CA--C 1.431 -3.627 0 C-N-CA 117.799 -1.56 . . . . 0.0 112.23 -169.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 45.06 56.4 5.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 O-C-N 119.732 -1.855 . . . . 0.0 115.841 -158.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -92.51 -44.35 8.69 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 148.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 38' ' ' PHE . 28.6 m-85 -110.75 133.3 53.46 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 121.236 1.834 . . . . 0.0 112.814 -150.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.1 mt -100.46 138.57 37.35 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 120.546 -1.346 . . . . 0.0 112.2 160.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 6.4 t80 -93.74 106.26 18.24 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 176.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.654 ' C ' HD12 ' A' ' 79' ' ' LEU . 17.5 tt0 -125.75 127.34 46.02 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.687 -172.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.788 HD13 ' HD2' ' A' ' 62' ' ' TYR . 5.3 mp -119.42 128.33 53.94 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 119.841 -1.787 . . . . 0.0 108.617 -162.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.484 ' O ' ' HB ' ' A' ' 81' ' ' ILE . 63.2 m170 -110.25 124.07 50.94 Favored 'General case' 0 CA--C 1.456 -2.648 0 CA-C-O 114.502 -2.666 . . . . 0.0 108.034 -162.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 80' ' ' HIS . 91.6 mt 59.95 -60.68 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.607 -2.14 . . . . 0.0 107.868 -160.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.5 pt . . . . . 1 C--O 1.337 5.673 1 CA-C-O 108.909 -5.329 . . . . 0.0 104.417 -162.749 . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 C--O 1.184 -2.35 0 CA-C-O 115.263 -2.303 . . . . 0.0 107.749 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -84.77 70.97 10.89 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 126.691 1.996 . . . . 0.0 110.47 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.589 ' SD ' HD23 ' A' ' 5' ' ' LEU . 27.6 ptm -120.91 33.41 5.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 111.117 -2.765 . . . . 0.0 114.993 155.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HG2' HH21 ' A' ' 33' ' ' ARG . 95.8 mttt 54.59 43.82 29.64 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 119.39 3.107 . . . . 0.0 119.39 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 pp -120.46 159.62 24.78 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 112.377 -3.678 . . . . 0.0 111.455 -172.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 20' ' ' GLU . 97.0 t -108.91 142.54 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 128.694 3.746 . . . . 0.0 110.334 159.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.742 HD22 ' CZ ' ' A' ' 12' ' ' ARG . 95.3 mt -112.83 139.07 48.77 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.563 -1.336 . . . . 0.0 113.478 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -66.84 145.38 55.55 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 121.424 -0.797 . . . . 0.0 112.701 167.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 17' ' ' LYS . 58.6 pttt -82.93 -30.63 28.24 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 116.879 -1.534 . . . . 0.0 114.03 175.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.91 -43.96 91.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 119.419 1.009 . . . . 0.0 110.255 -159.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.8 p -74.43 -40.31 62.04 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.742 ' CZ ' HD22 ' A' ' 7' ' ' LEU . 71.1 mtt85 -100.7 -43.94 5.98 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.042 0.837 . . . . 0.0 112.219 -167.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 4.75 107.56 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 128.929 2.891 . . . . 0.0 116.555 -143.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -90.87 -71.68 0.62 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 118.542 -0.742 . . . . 0.0 112.271 129.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -151.04 7.95 0.54 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.86 -28.23 68.17 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 118.984 -0.531 . . . . 0.0 110.357 -146.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HB3' ' HD3' ' A' ' 9' ' ' LYS 0.315 83.8 tttt -79.61 57.94 2.6 Favored 'General case' 0 C--O 1.194 -1.838 0 CA-C-O 116.722 -1.609 . . . . 0.0 113.933 -169.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.6 p -127.63 -5.64 5.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 138.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -67.54 -39.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 125.556 1.542 . . . . 0.0 113.74 -155.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 26.6 pt-20 -57.77 -41.5 82.11 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 119.283 0.947 . . . . 0.0 112.598 175.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.3 mt -61.79 -47.15 86.43 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 119.413 -2.055 . . . . 0.0 110.675 -176.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.04 -43.47 98.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 116.555 -1.688 . . . . 0.0 112.648 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -66.87 -36.57 82.61 Favored 'General case' 0 CA--C 1.484 -1.579 0 O-C-N 124.577 1.173 . . . . 0.0 108.892 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.5 mp -64.28 -50.25 68.61 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 119.765 1.166 . . . . 0.0 107.976 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.04 -48.84 78.88 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.293 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -83.64 -37.78 22.4 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -168.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 94.7 mt-10 -61.61 -42.19 98.52 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 119.635 -1.916 . . . . 0.0 108.997 173.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 81' ' ' ILE . 1.3 t80 -59.42 -47.62 84.76 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.232 0.957 . . . . 0.0 111.742 177.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.5 p -71.13 -33.31 69.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.01 -46.95 14.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 119.126 0.875 . . . . 0.0 108.762 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -147.68 166.36 27.69 Favored 'General case' 0 CA--C 1.558 1.271 0 O-C-N 121.86 -0.525 . . . . 0.0 111.733 -154.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HD3' HG21 ' A' ' 81' ' ' ILE . 83.4 mttt -126.47 115.95 20.37 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 118.31 -2.744 . . . . 0.0 115.366 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 4' ' ' LYS . 17.1 ptm180 -168.71 172.84 7.64 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.315 -137.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -135.17 172.01 13.61 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 120.006 1.276 . . . . 0.0 108.342 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.722 HD11 ' OE1' ' A' ' 78' ' ' GLU . 44.5 pt -142.16 165.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-O 122.998 1.38 . . . . 0.0 109.194 176.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' HB2' ' HE1' ' A' ' 38' ' ' PHE . 50.9 m-85 -112.58 148.08 35.3 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.436 -1.256 . . . . 0.0 107.817 162.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.807 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -119.36 123.81 45.06 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 177.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.588 ' HB2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -106.02 89.75 3.16 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 127.4 2.28 . . . . 0.0 106.75 -177.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.807 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -134.4 144.9 53.04 Favored Pre-proline 0 C--O 1.204 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 112.589 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 59.8 Cg_exo -60.39 149.15 87.67 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 CA-C-O 115.889 -1.796 . . . . 0.0 115.495 -122.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -64.88 -47.12 78.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 116.828 -1.949 . . . . 0.0 111.507 155.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -70.07 -38.1 75.64 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 125.09 1.356 . . . . 0.0 111.559 -160.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.73 -38.76 10.2 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 53.32 36.03 21.78 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 128.821 2.849 . . . . 0.0 112.562 -165.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -101.22 -57.3 2.12 Favored 'General case' 0 CA--C 1.5 -0.973 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.313 -167.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.7 m-20 -67.18 -36.14 81.13 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.658 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 65.8 ttp -64.09 -41.68 97.2 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.618 0.644 . . . . 0.0 111.631 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -43.83 90.43 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.894 0.878 . . . . 0.0 110.428 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -64.17 -35.3 80.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.653 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -61.75 -38.84 89.45 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 124.339 1.025 . . . . 0.0 113.346 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.09 -46.36 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.999 0.904 . . . . 0.0 109.656 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -66.0 -43.0 89.02 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.76 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.31 -38.26 90.41 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD13 ' A' ' 63' ' ' LEU . 20.5 m-30 -64.83 -35.05 79.85 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 122.872 1.32 . . . . 0.0 111.559 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.42 -34.84 58.79 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 116.267 -1.825 . . . . 0.0 114.796 169.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.45 -32.01 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 121.253 1.842 . . . . 0.0 111.426 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.952 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.4 mttt -125.06 140.84 52.54 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -173.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.84 -16.3 70.61 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 118.481 2.153 . . . . 0.0 118.481 -155.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 96.3 m-70 -77.28 -29.13 53.66 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 117.167 -3.549 . . . . 0.0 117.147 -157.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -64.1 145.63 55.59 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 120.749 -1.219 . . . . 0.0 109.083 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 1.069 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -73.44 -38.14 65.61 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 121.273 -0.892 . . . . 0.0 110.014 167.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -163.14 164.68 25.19 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.855 1.347 . . . . 0.0 113.33 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.045 HD13 ' HD2' ' A' ' 54' ' ' PHE . 2.5 pt? -134.87 148.06 50.02 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.106 -0.996 . . . . 0.0 112.134 163.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -161.17 161.11 30.88 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -60.85 158.81 12.31 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.158 -0.964 . . . . 0.0 113.237 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.747 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.2 t -81.29 134.8 26.37 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 C-N-CA 116.097 -2.241 . . . . 0.0 109.809 151.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.479 ' HA ' ' H ' ' A' ' 69' ' ' SER . 93.2 mtt-85 -84.47 66.19 9.33 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 118.703 -2.498 . . . . 0.0 114.284 158.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.747 ' H ' HG12 ' A' ' 66' ' ' VAL . 28.6 m -97.61 9.48 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 C-N-CA 128.825 2.85 . . . . 0.0 111.522 119.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.479 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 79.7 p -63.99 -43.24 96.31 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -174.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.0 p -57.54 -38.62 75.04 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -169.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -82.43 -41.7 19.53 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 127.7 3.125 . . . . 0.0 116.521 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -123.25 -27.23 4.17 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 119.471 1.032 . . . . 0.0 112.953 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 69' ' ' SER . 98.9 mttt 44.66 51.57 8.11 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -172.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -102.51 -36.41 8.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.447 -1.408 . . . . 0.0 112.068 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 27.0 m-85 -122.41 120.85 35.17 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 -140.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.5 mt -95.31 152.81 18.05 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.07 110.83 21.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.823 1.649 . . . . 0.0 109.421 167.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' A' ' 35' ' ' ILE . 83.6 tt0 -111.36 133.87 53.36 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.665 -0.647 . . . . 0.0 109.38 -175.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.914 HD22 HD12 ' A' ' 82' ' ' ILE . 2.2 mp -116.38 124.31 49.75 Favored 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 120.145 -1.597 . . . . 0.0 108.757 -174.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -107.23 121.88 45.43 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -168.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 81' ' ' ILE . 84.7 mt 45.8 53.24 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 O-C-N 125.097 1.498 . . . . 0.0 112.116 -163.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.069 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.9 tt . . . . . 0 C--O 1.208 -1.113 1 O-C-N 115.72 -4.363 . . . . 0.0 116.559 164.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 CA--C 1.497 -1.089 0 CA-C-O 115.494 -2.193 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -100.79 116.2 32.12 Favored 'General case' 0 CA--C 1.477 -1.86 0 N-CA-C 116.735 2.124 . . . . 0.0 116.735 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.7 mtp -109.84 -0.28 18.42 Favored 'General case' 0 C--N 1.263 -3.194 0 C-N-CA 131.05 3.74 . . . . 0.0 115.437 152.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.1 mttt -95.13 16.82 15.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 126.888 2.618 . . . . 0.0 108.96 -163.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.609 HD12 ' C ' ' A' ' 4' ' ' LYS . 2.9 mp -127.39 151.68 48.49 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 174.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.522 HG11 ' HB2' ' A' ' 20' ' ' GLU . 85.6 t -124.57 130.42 73.49 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 159.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 7' ' ' LEU . 5.5 mp -96.83 151.33 19.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.973 0.909 . . . . 0.0 112.01 170.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.698 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -67.91 142.04 56.17 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 130.668 3.587 . . . . 0.0 114.559 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.611 ' HE2' ' O ' ' A' ' 17' ' ' LYS . 88.7 mttt -62.16 -41.42 98.29 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.996 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -67.65 -45.49 75.15 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 116.199 -1.858 . . . . 0.0 114.973 -170.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.492 HG23 ' HB3' ' A' ' 40' ' ' PRO . 39.9 p -69.42 -43.01 74.27 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 120.716 1.598 . . . . 0.0 112.828 172.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.502 ' HG3' ' HB3' ' A' ' 7' ' ' LEU . 77.8 mmt-85 -102.32 -29.35 11.71 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 112.784 -3.484 . . . . 0.0 115.942 -162.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 54.55 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 123.099 2.681 . . . . 0.0 116.342 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p -97.19 -18.13 19.45 Favored 'General case' 0 N--CA 1.413 -2.322 1 CA-C-O 108.34 -5.6 . . . . 0.0 111.793 -162.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' OD2' HD22 ' A' ' 7' ' ' LEU . 41.0 p-10 -117.55 -10.14 10.68 Favored 'General case' 1 C--N 1.237 -4.29 1 CA-C-N 132.404 6.911 . . . . 0.0 114.878 177.945 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 -0.57 25.79 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 127.794 2.438 . . . . 0.0 116.178 -154.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.611 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 97.6 mttt -58.99 -33.48 70.75 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.336 -1.793 . . . . 0.0 109.709 -149.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -145.05 29.23 1.2 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 153.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.06 -37.98 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -155.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.619 ' HG2' ' HE1' ' A' ' 54' ' ' PHE . 34.9 tp10 -62.42 -45.85 91.22 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 118.786 -0.626 . . . . 0.0 109.319 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 77.0 mt -61.36 -53.78 52.25 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-O 114.09 -2.862 . . . . 0.0 108.304 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.36 -43.75 98.35 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 122.567 2.44 . . . . 0.0 112.144 -175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 55.2 t0 -64.92 -38.45 91.02 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 128.604 3.69 . . . . 0.0 107.844 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.619 HD23 ' CE1' ' A' ' 80' ' ' HIS . 14.2 mt -49.6 -61.51 2.07 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 123.869 1.795 . . . . 0.0 111.83 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' CE1' ' A' ' 59' ' ' HIS . 73.1 t80 -66.02 -43.76 86.73 Favored 'General case' 0 C--N 1.37 1.466 0 O-C-N 120.963 -1.085 . . . . 0.0 110.126 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -73.3 -42.47 62.35 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 119.594 -1.941 . . . . 0.0 114.323 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 34.2 tt0 -61.66 -44.55 96.75 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-O 115.073 -2.394 . . . . 0.0 105.777 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' HD1' ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.77 -35.12 72.46 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 115.973 -2.291 . . . . 0.0 113.724 -177.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.4 p -65.44 -46.74 78.69 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-O 115.944 -1.979 . . . . 0.0 110.941 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -81.56 -41.15 22.01 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 125.694 1.871 . . . . 0.0 113.298 -165.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -159.74 149.07 18.01 Favored 'General case' 0 N--CA 1.413 -2.319 0 CA-C-O 125.039 2.352 . . . . 0.0 114.905 -173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 81' ' ' ILE . 96.9 mttt -102.48 116.22 32.17 Favored 'General case' 0 C--O 1.302 3.86 1 O-C-N 115.207 -4.683 . . . . 0.0 112.254 -170.105 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -175.82 166.52 3.09 Favored 'General case' 0 C--N 1.25 -3.744 0 CA-C-N 123.356 2.798 . . . . 0.0 108.336 -134.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.622 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 91.6 p -144.19 155.57 43.95 Favored 'General case' 0 C--O 1.256 1.441 0 C-N-CA 125.091 1.357 . . . . 0.0 110.107 -168.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.605 HD11 ' OE1' ' A' ' 78' ' ' GLU . 47.9 pt -131.31 149.15 32.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.593 1.187 . . . . 0.0 109.726 -169.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.506 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 92.2 m-85 -93.9 152.67 18.7 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-O 123.204 1.478 . . . . 0.0 108.41 148.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 16.6 t80 -123.4 112.4 17.51 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.85 1.26 . . . . 0.0 107.829 173.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 43.4 t80 -93.54 94.09 8.45 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 125.623 1.569 . . . . 0.0 111.847 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -135.25 143.2 44.63 Favored Pre-proline 0 C--O 1.206 -1.207 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' HB3' HG23 ' A' ' 11' ' ' THR . 73.3 Cg_endo -64.96 152.17 83.27 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 115.662 -2.426 . . . . 0.0 115.314 -124.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.0 m -69.1 -37.65 78.52 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 125.245 1.418 . . . . 0.0 111.488 158.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.98 -47.58 65.25 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 120.262 -1.524 . . . . 0.0 112.692 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.14 -35.88 8.33 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.25 -166.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 73' ' ' LYS . 91.0 m-70 58.25 32.53 22.16 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 123.158 1.456 . . . . 0.0 111.517 -168.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.45 -54.86 2.83 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 124.409 1.083 . . . . 0.0 113.886 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.698 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 96.5 m-20 -61.19 -35.11 76.26 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 125.622 1.826 . . . . 0.0 107.077 172.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 58.2 ttm -66.21 -43.01 87.95 Favored 'General case' 0 N--CA 1.444 -0.768 1 O-C-N 116.064 -4.148 . . . . 0.0 114.651 179.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.14 -44.07 83.04 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.865 0.841 . . . . 0.0 110.382 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.36 -37.98 88.67 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.13 1.772 . . . . 0.0 112.437 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -55.53 -44.83 77.05 Favored 'General case' 0 C--O 1.197 -1.691 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 175.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.77 -42.92 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-O 123.354 1.55 . . . . 0.0 109.575 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.07 -44.28 72.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 116.755 -1.593 . . . . 0.0 114.041 172.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.42 -45.72 93.14 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 120.585 1.539 . . . . 0.0 110.045 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.974 ' HD2' HD22 ' A' ' 63' ' ' LEU . 22.5 m-30 -63.07 -47.26 83.68 Favored 'General case' 0 CA--C 1.468 -2.187 0 CA-C-O 113.804 -2.998 . . . . 0.0 104.079 -165.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.66 -39.5 94.09 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 121.518 1.963 . . . . 0.0 111.094 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -53.16 -45.43 68.45 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 117.902 -2.999 . . . . 0.0 113.453 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 98.1 mttt -93.42 144.09 25.66 Favored 'General case' 0 CA--C 1.463 -2.393 1 CA-C-O 111.401 -4.143 . . . . 0.0 116.261 176.171 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.49 -6.67 59.02 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 127.928 2.68 . . . . 0.0 118.852 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.638 ' CE1' ' HD3' ' A' ' 57' ' ' LYS . 63.5 m170 -68.75 -30.85 69.55 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 112.413 -3.66 . . . . 0.0 106.868 -152.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -101.13 146.61 27.25 Favored 'General case' 0 C--N 1.265 -3.081 1 CA-C-N 130.115 5.871 . . . . 0.0 112.783 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.3 -49.63 68.78 Favored 'General case' 0 CA--C 1.499 -1.01 0 O-C-N 118.121 -2.862 . . . . 0.0 118.135 170.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -145.22 153.53 41.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.853 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.974 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -127.02 135.01 50.23 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 160.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -159.6 145.6 16.04 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.86 158.81 7.69 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 116.725 -3.734 . . . . 0.0 116.813 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 68' ' ' VAL . 57.5 t -74.52 141.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-O 115.279 -2.296 . . . . 0.0 106.862 155.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.629 ' HD3' ' OG ' ' A' ' 69' ' ' SER . 40.4 mmt180 -90.63 61.51 4.87 Favored 'General case' 0 C--O 1.189 -2.101 1 CA-C-N 127.245 4.566 . . . . 0.0 118.305 151.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.703 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.4 m -96.87 7.44 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 C-N-CA 127.525 2.33 . . . . 0.0 109.364 128.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.629 ' OG ' ' HD3' ' A' ' 67' ' ' ARG . 94.0 p -63.25 -43.23 98.59 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 127.146 2.178 . . . . 0.0 112.453 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.1 p -62.73 -34.44 77.18 Favored 'General case' 0 C--O 1.202 -1.408 0 CA-C-O 115.807 -2.044 . . . . 0.0 109.439 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -84.29 -51.11 7.25 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 116.432 -1.747 . . . . 0.0 114.815 167.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -120.54 -26.66 5.3 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 124.382 3.264 . . . . 0.0 107.256 -158.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HG2' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tptp 52.88 45.12 29.41 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 130.405 3.482 . . . . 0.0 113.271 172.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.21 -41.38 6.4 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.506 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 67.9 m-85 -108.68 117.32 33.87 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 127.906 2.482 . . . . 0.0 110.119 -152.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 94.0 mt -83.42 141.55 31.63 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.165 156.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.458 ' CD2' HD11 ' A' ' 79' ' ' LEU . 28.2 t80 -104.3 114.32 28.48 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 123.248 1.499 . . . . 0.0 108.659 162.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.621 ' C ' HD12 ' A' ' 79' ' ' LEU . 85.1 tt0 -125.13 127.95 47.65 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -174.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.704 ' N ' HD12 ' A' ' 79' ' ' LEU . 3.6 mp -116.36 129.0 56.02 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 117.289 -3.382 . . . . 0.0 108.017 -161.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.619 ' CE1' HD23 ' A' ' 24' ' ' LEU . 10.9 m170 -112.19 115.83 29.47 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -172.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 81' ' ' ILE . 63.2 mt 51.62 41.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.358 -174.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.622 ' CD1' ' HB3' ' A' ' 34' ' ' SER . 94.7 mt . . . . . 1 C--O 1.357 6.732 3 CA-C-O 109.571 -5.014 . . . . 0.0 110.194 -178.716 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 117.517 -1.23 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -114.87 122.06 45.15 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 118.606 2.817 . . . . 0.0 118.606 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 97.6 mmm -108.69 9.7 27.04 Favored 'General case' 0 C--O 1.172 -3.009 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 158.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.4 mttt -94.6 9.64 37.89 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 128.84 2.856 . . . . 0.0 113.299 -165.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.659 ' CD2' ' HB2' ' A' ' 36' ' ' PHE . 94.0 mt -115.55 145.48 42.61 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 20' ' ' GLU . 91.4 t -123.52 121.62 63.05 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.296 1 O-C-N 129.514 4.259 . . . . 0.0 116.05 169.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.7 mt -101.39 146.5 27.52 Favored 'General case' 0 C--O 1.183 -2.401 0 CA-C-O 125.236 2.446 . . . . 0.0 110.673 -166.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -58.47 135.69 57.33 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.259 -2.775 . . . . 0.0 116.282 163.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.97 -42.18 97.32 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-O 116.936 -1.507 . . . . 0.0 112.023 163.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.34 -49.1 75.27 Favored 'General case' 0 C--O 1.208 -1.128 0 O-C-N 124.968 1.418 . . . . 0.0 113.452 -151.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m -70.09 -44.89 68.13 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 118.185 2.661 . . . . 0.0 118.185 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.505 ' NE ' HD22 ' A' ' 7' ' ' LEU . 90.6 mtt-85 -86.21 -39.92 16.12 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 126.378 2.299 . . . . 0.0 108.994 -168.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 52.12 46.99 25.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 127.421 2.289 . . . . 0.0 110.261 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.1 p -87.89 -71.28 0.58 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 115.28 -2.568 . . . . 0.0 117.656 151.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 42.0 p-10 -152.09 5.51 0.42 Allowed 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 174.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -61.55 -40.18 93.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 125.905 1.682 . . . . 0.0 107.062 -139.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 85.5 tttt -78.73 64.64 3.78 Favored 'General case' 0 C--O 1.182 -2.468 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.376 -162.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.9 p -124.16 -22.14 4.85 Favored 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 139.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG12 ' OD2' ' A' ' 23' ' ' ASP . 96.3 t -64.34 -35.57 74.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 C-N-CA 126.687 1.995 . . . . 0.0 114.145 -158.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.691 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . 34.1 tp10 -60.14 -43.7 95.52 Favored 'General case' 0 CA--C 1.481 -1.681 0 O-C-N 120.78 -1.2 . . . . 0.0 109.341 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD22 ' HD2' ' A' ' 57' ' ' LYS . 97.2 mt -62.92 -47.29 83.9 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.32 -36.97 85.69 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 119.144 -2.222 . . . . 0.0 110.976 174.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' OD2' HG12 ' A' ' 19' ' ' VAL . 94.6 m-20 -64.96 -40.56 95.17 Favored 'General case' 0 CA--C 1.473 -2.015 0 O-C-N 126.315 2.259 . . . . 0.0 110.934 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' CD2' ' A' ' 80' ' ' HIS . 68.0 mt -49.35 -58.42 5.13 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 123.861 1.791 . . . . 0.0 108.651 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 76.4 t80 -65.58 -49.35 69.14 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 -173.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.418 ' HD2' ' HD2' ' A' ' 25' ' ' TYR . 64.2 m170 -69.65 -42.67 73.93 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.592 -169.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.769 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 97.1 mt-10 -65.77 -43.39 88.98 Favored 'General case' 0 C--O 1.2 -1.515 0 O-C-N 126.265 2.228 . . . . 0.0 110.452 -175.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 81' ' ' ILE . 2.4 t80 -56.63 -52.56 64.42 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 124.888 1.367 . . . . 0.0 107.696 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.8 p -61.83 -46.59 88.81 Favored 'General case' 0 CA--C 1.49 -1.337 0 O-C-N 125.483 1.739 . . . . 0.0 112.298 -170.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -74.73 -46.39 37.76 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 128.218 3.449 . . . . 0.0 108.0 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.672 ' HB3' ' HD2' ' A' ' 33' ' ' ARG . 20.6 t0 -151.22 159.81 44.18 Favored 'General case' 0 N--CA 1.423 -1.813 0 O-C-N 121.027 -1.045 . . . . 0.0 113.776 -165.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.71 110.61 21.7 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 117.656 -3.153 . . . . 0.0 112.946 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.769 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 13.6 ptm180 -167.8 159.36 11.59 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 120.754 1.616 . . . . 0.0 109.756 -136.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.582 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 74.7 p -131.1 154.17 48.56 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 -163.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.433 HG12 ' HE1' ' A' ' 80' ' ' HIS . 45.7 pt -134.92 162.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 123.97 0.908 . . . . 0.0 108.551 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.659 ' HB2' ' CD2' ' A' ' 5' ' ' LEU . 90.2 m-85 -114.04 123.31 49.38 Favored 'General case' 0 C--O 1.194 -1.825 0 C-N-CA 128.537 2.735 . . . . 0.0 103.853 166.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.691 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t80 -85.12 115.83 23.14 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 131.243 3.817 . . . . 0.0 114.003 164.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.4 t80 -104.59 88.86 3.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 116.487 -3.883 . . . . 0.0 111.408 -175.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.815 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -139.91 151.58 65.8 Favored Pre-proline 0 CA--C 1.498 -1.045 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 -166.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.638 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.9 Cg_exo -62.74 149.82 90.04 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 113.509 -3.86 . . . . 0.0 115.936 -130.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.5 m -63.95 -43.89 94.45 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 126.297 2.248 . . . . 0.0 115.972 154.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -65.04 -42.97 93.83 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.772 ' HB1' ' HG3' ' A' ' 45' ' ' LYS . . . -101.58 -40.0 7.23 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.424 -1.423 . . . . 0.0 111.106 -176.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.658 ' CE1' ' HE2' ' A' ' 73' ' ' LYS . 97.2 m-70 60.15 23.53 12.83 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 130.222 3.409 . . . . 0.0 114.593 -158.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.772 ' HG3' ' HB1' ' A' ' 43' ' ' ALA . 99.4 mttt -91.89 -44.77 8.73 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 115.498 -2.481 . . . . 0.0 106.111 -158.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.638 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 67.6 m-20 -62.59 -41.24 98.84 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 125.215 1.572 . . . . 0.0 107.461 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.99 -43.73 98.43 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.16 -37.1 83.95 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.16 -33.58 75.72 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 118.575 -2.578 . . . . 0.0 117.837 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.95 -40.9 73.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 123.053 1.406 . . . . 0.0 114.754 174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.34 -45.81 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 CA-C-O 123.293 1.521 . . . . 0.0 108.804 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.28 -40.97 97.03 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -58.62 -43.54 89.69 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 120.445 -1.409 . . . . 0.0 112.155 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HD2' HD22 ' A' ' 63' ' ' LEU . 19.1 m-85 -63.49 -43.37 97.46 Favored 'General case' 1 C--O 1.144 -4.449 0 CA-C-O 116.372 -1.775 . . . . 0.0 110.789 -177.223 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.67 -39.51 94.51 Favored 'General case' 0 CA--C 1.476 -1.876 0 CA-C-N 120.156 1.344 . . . . 0.0 111.0 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.01 -50.19 71.55 Favored 'General case' 0 CA--C 1.459 -2.541 0 CA-C-O 113.724 -3.036 . . . . 0.0 111.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.667 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.8 mttt -107.69 134.82 50.12 Favored 'General case' 0 C--O 1.183 -2.443 0 O-C-N 127.554 3.034 . . . . 0.0 117.39 -170.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.82 -10.67 77.27 Favored Glycine 0 N--CA 1.421 -2.325 0 CA-C-O 114.498 -3.39 . . . . 0.0 120.175 -168.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.657 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.4 -42.9 99.78 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 123.956 3.878 . . . . 0.0 120.542 -168.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.7 t -67.69 155.88 38.2 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 118.08 -2.888 . . . . 0.0 108.101 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.866 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -97.26 -38.64 9.6 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.966 168.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.645 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 88.6 t80 -141.68 138.02 32.16 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -171.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.632 HD22 ' HD2' ' A' ' 54' ' ' PHE . 68.6 tp -123.18 130.38 52.68 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 119.901 -1.75 . . . . 0.0 107.015 175.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.645 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 16.7 t0 -139.1 165.22 27.72 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.624 1.969 . . . . 0.0 112.793 166.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 97.6 mt-10 -74.27 172.64 11.46 Favored 'General case' 0 C--N 1.329 -0.307 1 O-C-N 115.376 -4.578 . . . . 0.0 113.668 167.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 58.4 t -98.68 129.05 49.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 116.544 -2.062 . . . . 0.0 109.62 152.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.808 ' HA ' ' H ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -86.19 71.91 10.46 Favored 'General case' 1 C--O 1.103 -6.637 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.768 155.542 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -99.83 23.75 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.398 1 C-N-CA 133.044 4.538 . . . . 0.0 104.967 114.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.808 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 74.4 p -63.37 -37.54 87.68 Favored 'General case' 0 C--O 1.204 -1.312 0 O-C-N 121.102 -0.998 . . . . 0.0 109.547 173.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.0 m -60.84 -44.15 97.36 Favored 'General case' 0 N--CA 1.423 -1.779 0 C-N-CA 115.446 -2.502 . . . . 0.0 113.366 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -72.58 -47.28 49.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 119.875 3.287 . . . . 0.0 119.875 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -128.96 -33.62 1.98 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 118.353 2.723 . . . . 0.0 118.353 -160.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HE2' ' CE1' ' A' ' 44' ' ' HIS . 88.6 tttt 50.34 55.08 10.02 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 128.659 2.784 . . . . 0.0 110.674 151.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 29.4 p-10 -139.95 -0.12 1.71 Allowed 'General case' 0 C--N 1.268 -2.967 0 O-C-N 116.743 -3.723 . . . . 0.0 115.716 163.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.626 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 72.3 m-85 -101.16 127.22 47.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 121.526 1.966 . . . . 0.0 109.792 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.66 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 83.0 mt -96.58 131.18 43.47 Favored 'General case' 0 C--O 1.208 -1.096 0 C-N-CA 128.194 2.597 . . . . 0.0 112.942 158.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -108.98 112.07 24.07 Favored 'General case' 0 N--CA 1.426 -1.643 0 O-C-N 119.679 -1.888 . . . . 0.0 107.44 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.604 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -132.06 127.14 35.51 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -168.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.64 HD22 HD12 ' A' ' 82' ' ' ILE . 4.8 mp -116.58 128.18 55.17 Favored 'General case' 0 C--O 1.245 0.829 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -159.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.69 ' CD2' HD23 ' A' ' 24' ' ' LEU . 36.2 m80 -97.12 128.34 43.94 Favored 'General case' 0 CA--C 1.48 -1.749 0 CA-C-O 116.791 -1.576 . . . . 0.0 107.792 -172.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 81' ' ' ILE . 17.1 tt 29.01 66.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 128.207 3.442 . . . . 0.0 116.003 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.866 HG22 ' CB ' ' A' ' 61' ' ' ALA . 20.0 tt . . . . . 0 N--CA 1.509 2.524 0 C-N-CA 129.016 2.926 . . . . 0.0 116.42 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 CA--C 1.494 -1.21 0 CA-C-O 116.748 -1.596 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -121.29 137.0 54.89 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 116.252 -1.832 . . . . 0.0 114.923 -169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.8 mmm -120.41 15.84 12.13 Favored 'General case' 0 N--CA 1.506 2.338 1 C-N-CA 132.41 4.284 . . . . 0.0 117.37 163.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -110.31 23.18 14.61 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 119.924 -1.735 . . . . 0.0 114.042 -171.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 5.8 mp -127.59 154.02 45.71 Favored 'General case' 0 C--O 1.207 -1.168 0 O-C-N 120.232 -1.542 . . . . 0.0 108.508 -175.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 20' ' ' GLU . 96.2 t -122.82 125.72 72.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 124.606 1.191 . . . . 0.0 110.702 169.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.0 mt -88.94 139.77 30.11 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 123.291 1.52 . . . . 0.0 111.541 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.778 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -59.01 144.45 45.17 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.748 1.219 . . . . 0.0 109.295 166.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 62.2 pttt -61.92 -45.97 91.39 Favored 'General case' 0 C--O 1.199 -1.597 0 CA-C-O 117.077 -1.44 . . . . 0.0 111.851 160.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.58 -47.16 79.75 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 123.757 2.98 . . . . 0.0 115.136 -148.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.5 m -72.32 -40.58 67.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.912 2.485 . . . . 0.0 115.828 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -100.89 -54.6 2.77 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 118.926 -2.359 . . . . 0.0 109.739 -175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 96.9 mttt 44.0 48.88 7.35 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 -162.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.9 p -78.7 -47.76 16.3 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 122.582 2.447 . . . . 0.0 114.594 169.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -164.35 7.47 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 127.27 2.228 . . . . 0.0 113.386 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -62.87 -40.84 98.72 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 122.165 0.983 . . . . 0.0 108.966 -151.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HD2' ' HD3' ' A' ' 9' ' ' LYS . 88.6 tttt -58.67 146.8 35.08 Favored 'General case' 0 C--O 1.204 -1.305 0 CA-C-O 116.902 -1.523 . . . . 0.0 112.345 -160.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.7 m 63.1 14.66 7.84 Favored 'General case' 0 N--CA 1.489 1.496 1 C-N-CA 132.188 4.195 . . . . 0.0 113.28 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.15 -36.94 70.22 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.939 2.096 . . . . 0.0 113.647 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 25.1 pt-20 -58.38 -49.21 78.08 Favored 'General case' 0 C--O 1.201 -1.454 0 CA-C-O 115.048 -2.406 . . . . 0.0 108.387 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HD2' ' A' ' 57' ' ' LYS . 77.8 mt -64.75 -45.26 87.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 123.632 2.923 . . . . 0.0 109.284 -161.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -60.08 -40.27 88.95 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 130.284 3.434 . . . . 0.0 114.417 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -65.78 -40.23 91.76 Favored 'General case' 0 CA--C 1.482 -1.637 0 O-C-N 124.999 1.437 . . . . 0.0 110.22 173.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 47.7 mt -59.11 -50.46 73.96 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -174.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -64.48 -51.19 64.3 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -69.1 -42.58 75.93 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 124.567 1.167 . . . . 0.0 111.283 -172.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.5 -44.1 83.5 Favored 'General case' 0 CA--C 1.48 -1.744 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 3.6 t80 -57.94 -49.72 75.8 Favored 'General case' 0 N--CA 1.429 -1.506 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -178.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -66.27 -40.45 90.11 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 124.723 1.209 . . . . 0.0 113.068 -174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -78.49 -44.52 24.28 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.995 1.318 . . . . 0.0 111.341 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.2 167.38 27.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.533 1.933 . . . . 0.0 113.696 -168.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -122.62 126.51 47.81 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 117.981 -2.949 . . . . 0.0 114.312 173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.78 ' HG2' ' H ' ' A' ' 34' ' ' SER . 28.5 ttm180 -172.26 -179.78 2.38 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 128.663 2.785 . . . . 0.0 112.827 -131.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 82.5 p -152.66 165.17 36.08 Favored 'General case' 0 N--CA 1.428 -1.53 0 O-C-N 117.52 -3.237 . . . . 0.0 107.368 -176.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.2 pt -147.96 158.1 8.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-O 123.642 1.687 . . . . 0.0 109.385 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 81.9 m-85 -101.36 139.17 37.4 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.649 -2.069 . . . . 0.0 110.59 158.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 39' ' ' ALA . 22.4 t80 -107.48 101.16 10.52 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 168.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -94.07 92.82 7.5 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 130.844 3.658 . . . . 0.0 105.44 -166.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.778 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.83 149.56 53.54 Favored Pre-proline 0 C--O 1.19 -2.055 0 CA-C-N 114.497 -1.229 . . . . 0.0 107.95 -160.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 71.7 Cg_endo -66.37 148.63 84.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-N 120.003 1.037 . . . . 0.0 114.128 -129.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -69.87 -37.2 76.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 123.8 1.762 . . . . 0.0 109.561 161.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -68.62 -39.55 80.75 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 127.465 2.306 . . . . 0.0 113.934 -158.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.264 . . -132.16 -16.62 2.79 Favored 'General case' 0 C--O 1.194 -1.856 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -174.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 47.38 39.74 9.57 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 124.891 1.276 . . . . 0.0 108.963 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -97.12 -48.09 5.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.444 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 92.7 m-20 -63.41 -36.86 85.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.677 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.4 ttp -64.44 -42.13 96.16 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 119.284 0.947 . . . . 0.0 112.794 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.07 -42.08 98.83 Favored 'General case' 0 C--N 1.345 0.391 0 O-C-N 121.646 -0.659 . . . . 0.0 110.651 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 98.2 mttt -66.14 -33.4 75.69 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.176 -1.392 . . . . 0.0 111.458 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -59.02 -40.67 85.68 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 124.137 0.898 . . . . 0.0 112.323 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.26 -45.49 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 118.826 -1.15 . . . . 0.0 108.712 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.37 -44.47 94.71 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.446 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 21.2 m-30 -64.96 -35.71 82.05 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-O 122.025 0.917 . . . . 0.0 113.339 -174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.858 ' HD2' HD22 ' A' ' 63' ' ' LEU . 18.6 m-30 -68.19 -35.27 77.74 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.57 -1.196 . . . . 0.0 112.867 -173.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -35.64 75.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 127.927 2.491 . . . . 0.0 113.556 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.76 -39.35 77.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 116.546 -1.693 . . . . 0.0 110.962 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -112.86 139.77 48.22 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.37 37.42 3.14 Favored Glycine 0 CA--C 1.563 3.089 0 N-CA-C 122.726 3.85 . . . . 0.0 122.726 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 98.0 m-70 -93.15 -35.11 13.34 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 124.001 3.9 . . . . 0.0 113.218 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t -66.09 150.19 49.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.9 -46.77 12.57 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.378 -1.283 . . . . 0.0 107.833 167.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -157.76 154.24 27.85 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -169.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.858 HD22 ' HD2' ' A' ' 54' ' ' PHE . 64.7 tp -129.61 137.03 50.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.895 1.278 . . . . 0.0 112.053 172.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 9.9 t0 -149.75 -179.98 7.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 165.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -82.48 169.98 15.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 119.29 -2.131 . . . . 0.0 112.348 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.012 HG23 ' H ' ' A' ' 69' ' ' SER . 27.8 m -77.4 166.96 2.48 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-N 125.603 3.819 . . . . 0.0 110.847 142.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -71.39 -34.34 70.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 130.524 3.53 . . . . 0.0 115.87 167.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.0 -3.1 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 118.839 -2.413 . . . . 0.0 110.799 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 1.012 ' H ' HG23 ' A' ' 66' ' ' VAL . 69.9 m -76.31 47.96 0.5 Allowed 'General case' 0 C--O 1.219 -0.523 0 O-C-N 120.273 -1.517 . . . . 0.0 113.483 140.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.5 p -99.29 -56.48 2.4 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 132.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -71.33 -38.43 71.67 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 128.07 2.548 . . . . 0.0 112.013 -157.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -130.13 -22.74 2.81 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.68 1.192 . . . . 0.0 113.16 -168.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.13 50.27 13.91 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 113.986 -2.912 . . . . 0.0 113.707 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -117.48 -39.54 3.16 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 96.8 m-85 -106.72 122.09 45.67 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 124.117 0.886 . . . . 0.0 112.464 -171.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 93.0 mt -87.61 146.0 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.548 -0.72 . . . . 0.0 111.371 157.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.482 ' CD2' HD11 ' A' ' 79' ' ' LEU . 33.9 t80 -108.08 112.68 25.35 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.186 0.594 . . . . 0.0 110.753 175.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.548 ' C ' HD12 ' A' ' 79' ' ' LEU . 67.4 tt0 -127.15 129.86 48.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.274 -173.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.706 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp -120.54 137.67 54.26 Favored 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -164.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.421 ' CE1' HD23 ' A' ' 24' ' ' LEU . 43.1 m170 -110.17 120.02 41.1 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 116.543 -1.694 . . . . 0.0 107.568 -167.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt 57.89 -32.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 -164.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 82' ' ' ILE . 91.4 mt . . . . . 0 N--CA 1.497 1.905 0 CA-C-N 123.167 2.712 . . . . 0.0 113.312 -166.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.235 0.313 0 CA-C-O 118.299 -0.858 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -100.21 116.89 33.26 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 117.985 -1.486 . . . . 0.0 107.528 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mtp -116.87 29.84 7.69 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 112.36 -2.2 . . . . 0.0 113.328 161.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 51.39 43.92 29.22 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.691 1.587 . . . . 0.0 109.846 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -130.69 166.07 21.51 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 118.458 -1.297 . . . . 0.0 109.327 172.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.533 ' HB ' ' CD2' ' A' ' 37' ' ' TYR . 79.5 t -121.43 145.02 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.622 161.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 38' ' ' PHE . 90.9 mt -118.28 140.78 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -63.29 159.09 18.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.867 2.067 . . . . 0.0 112.522 166.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HD2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.46 -14.1 24.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 118.304 -2.748 . . . . 0.0 118.008 174.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.528 HD22 ' HG3' ' A' ' 40' ' ' PRO . 97.9 m-20 -67.24 -39.1 86.14 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 126.033 1.733 . . . . 0.0 107.891 -169.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -101.38 -45.6 5.27 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 125.155 1.534 . . . . 0.0 114.21 -163.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -99.23 -50.37 4.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.234 1.414 . . . . 0.0 114.35 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 87.6 tttt 51.38 52.08 15.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.603 0.761 . . . . 0.0 112.654 178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.4 p -92.03 -56.37 3.1 Favored 'General case' 0 C--O 1.183 -2.396 0 O-C-N 119.7 -1.875 . . . . 0.0 114.731 171.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -152.56 17.15 0.61 Allowed 'General case' 0 C--O 1.185 -2.29 0 O-C-N 121.24 -0.912 . . . . 0.0 113.22 163.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.631 ' O ' HG13 ' A' ' 19' ' ' VAL . . . -66.76 -37.31 84.37 Favored 'General case' 0 C--O 1.202 -1.397 0 C-N-CA 125.484 1.514 . . . . 0.0 114.901 -157.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 tttt -56.31 145.53 26.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -159.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 m 55.11 38.04 29.84 Favored 'General case' 0 C--O 1.242 0.687 0 O-C-N 124.807 1.317 . . . . 0.0 107.873 166.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 16' ' ' ALA . 19.1 m -98.49 -22.05 4.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 CA-C-O 115.781 -2.057 . . . . 0.0 108.62 169.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.788 ' O ' HD13 ' A' ' 24' ' ' LEU . 24.8 pt-20 -63.11 -36.42 83.54 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 115.11 -2.636 . . . . 0.0 108.172 173.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.077 HD22 ' HE3' ' A' ' 57' ' ' LYS . 98.8 mt -63.86 -50.23 69.64 Favored 'General case' 0 N--CA 1.438 -1.037 1 O-C-N 115.179 -4.701 . . . . 0.0 113.981 -178.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.26 -38.9 91.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.745 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.66 -36.67 78.87 Favored 'General case' 0 CA--C 1.482 -1.646 0 C-N-CA 119.949 -0.701 . . . . 0.0 109.362 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 20' ' ' GLU . 11.2 mp -58.63 -59.19 5.79 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.958 -1.973 . . . . 0.0 106.886 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -59.67 -41.62 91.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 116.944 -1.903 . . . . 0.0 107.769 -163.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.46 -35.13 11.82 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.273 -1.785 . . . . 0.0 114.136 -162.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.846 ' OE1' HD11 ' A' ' 35' ' ' ILE . 94.2 mt-10 -60.47 -38.01 82.85 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.741 ' HE2' HD11 ' A' ' 81' ' ' ILE . 12.2 t80 -58.46 -49.8 76.01 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 127.908 2.483 . . . . 0.0 113.793 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -73.66 -33.52 64.52 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 116.293 -1.813 . . . . 0.0 115.831 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -82.98 -39.97 20.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 126.765 2.541 . . . . 0.0 114.253 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.03 166.24 33.89 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -109.62 120.51 42.72 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 117.242 -1.783 . . . . 0.0 112.092 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HG2' ' N ' ' A' ' 34' ' ' SER . 33.2 ttm180 -152.09 173.14 15.28 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 121.984 2.175 . . . . 0.0 110.361 -146.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.571 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 50.1 m -125.34 167.47 14.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 119.693 -1.88 . . . . 0.0 109.783 157.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.846 HD11 ' OE1' ' A' ' 27' ' ' GLU . 83.1 mt -131.4 153.47 38.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 C-N-CA 125.878 1.671 . . . . 0.0 111.602 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 5' ' ' LEU . 54.4 p90 -114.57 151.78 32.86 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-O 124.2 1.952 . . . . 0.0 113.767 148.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 86.4 m-85 -116.62 124.74 50.52 Favored 'General case' 0 C--O 1.203 -1.349 0 O-C-N 120.798 -1.189 . . . . 0.0 108.405 -171.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 7' ' ' LEU . 63.4 t80 -105.97 94.8 5.37 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.485 1.914 . . . . 0.0 113.56 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 46' ' ' ASP . . . -138.91 144.82 42.95 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 10' ' ' ASN . 65.6 Cg_endo -69.96 153.45 68.02 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 -113.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 m -70.58 -39.84 73.62 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 170.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -65.67 -44.89 84.89 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -25.27 8.46 Favored 'General case' 0 C--O 1.209 -1.044 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.423 ' H ' ' HG2' ' A' ' 40' ' ' PRO . 95.3 m-70 54.7 40.88 32.17 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 120.339 -1.476 . . . . 0.0 110.359 -174.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -99.82 -56.37 2.4 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 117.26 2.319 . . . . 0.0 117.26 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -60.67 -34.65 74.64 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 125.441 1.713 . . . . 0.0 107.882 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.516 ' HG3' ' CD1' ' A' ' 76' ' ' LEU . 66.3 ttp -67.28 -45.1 77.61 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.8 tp -57.15 -44.14 83.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.22 -0.992 . . . . 0.0 110.284 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.95 -33.06 71.61 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.11 0.964 . . . . 0.0 112.594 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.1 86.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.186 0.993 . . . . 0.0 113.095 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.0 t -55.94 -44.35 77.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.214 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.18 -41.84 94.2 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.491 ' HD2' ' OE2' ' A' ' 20' ' ' GLU . 20.0 m-30 -58.43 -39.87 80.99 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.249 0.968 . . . . 0.0 112.056 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.952 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.1 m-30 -73.51 -37.34 65.71 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -157.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -71.61 -42.54 67.54 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-N 111.667 -2.515 . . . . 0.0 110.665 172.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.81 -41.21 90.75 Favored 'General case' 1 C--N 1.231 -4.565 0 CA-C-N 125.922 3.965 . . . . 0.0 110.701 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 1.077 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.3 mmtt -66.97 -61.46 1.93 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 119.409 3.114 . . . . 0.0 119.409 -165.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.18 12.57 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 128.742 3.068 . . . . 0.0 118.358 -160.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 36.7 m170 -120.97 7.21 10.35 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.9 p -110.45 -140.78 0.38 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 -146.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.12 -66.27 0.71 Allowed 'General case' 0 C--O 1.164 -3.41 1 N-CA-C 98.743 -4.54 . . . . 0.0 98.743 126.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -130.59 155.73 46.04 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 125.412 1.695 . . . . 0.0 110.702 -161.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.952 HD22 ' HD2' ' A' ' 54' ' ' PHE . 51.9 tp -126.36 128.38 46.98 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 167.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -116.03 170.41 8.51 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 126.275 1.83 . . . . 0.0 112.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 24.0 pt-20 -81.22 166.69 20.36 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.296 -1.503 . . . . 0.0 112.271 160.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' A' ' 77' ' ' TYR . 76.6 t -103.74 130.79 53.67 Favored 'Isoleucine or valine' 0 C--O 1.265 1.88 0 CA-C-O 113.975 -2.917 . . . . 0.0 116.579 153.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.545 ' HA ' ' H ' ' A' ' 69' ' ' SER . 79.8 mtt85 -81.65 59.95 4.39 Favored 'General case' 0 C--O 1.192 -1.938 1 C-N-CA 132.003 4.121 . . . . 0.0 116.083 161.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.69 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.3 m -107.66 26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 1 O-C-N 115.734 -4.354 . . . . 0.0 106.893 123.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.562 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 59.3 p -67.82 -35.24 78.25 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.823 2.449 . . . . 0.0 113.24 -176.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -61.74 -41.8 98.13 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.995 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -73.86 -45.84 48.6 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -113.96 -50.8 2.81 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.283 -2.76 . . . . 0.0 108.064 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 63.1 tttp 61.94 25.05 15.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 129.071 2.949 . . . . 0.0 112.084 -172.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -93.22 -16.7 24.52 Favored 'General case' 0 CA--C 1.49 -1.331 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -109.67 118.07 35.58 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-O 122.168 0.985 . . . . 0.0 109.453 -162.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' CD1' ' HG3' ' A' ' 47' ' ' MET . 82.6 mt -107.27 147.39 30.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 124.012 0.925 . . . . 0.0 110.27 169.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.813 ' HB2' HG23 ' A' ' 66' ' ' VAL . 59.8 t80 -125.25 101.43 6.98 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.025 -152.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.677 ' C ' HD12 ' A' ' 79' ' ' LEU . 47.9 tt0 -120.08 147.78 44.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 120.436 1.471 . . . . 0.0 107.569 -167.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 82' ' ' ILE . 3.0 mp -127.33 133.64 50.07 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 35' ' ' ILE . 66.1 m80 -113.17 116.48 29.89 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.864 1.266 . . . . 0.0 108.091 -170.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 81' ' ' ILE . 30.3 mm 49.27 44.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -168.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.015 ' CD1' HD23 ' A' ' 79' ' ' LEU 0.279 18.5 tt . . . . . 0 C--O 1.247 0.937 1 CA-C-O 110.53 -4.557 . . . . 0.0 113.916 -170.317 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -129.53 133.91 47.48 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 171.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm -124.52 21.63 8.52 Favored 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 130.127 3.371 . . . . 0.0 117.186 156.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.548 ' C ' HD12 ' A' ' 5' ' ' LEU . 99.0 mttt -86.48 9.59 17.8 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 119.89 -1.756 . . . . 0.0 110.043 -170.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.9 mp -121.49 160.62 23.83 Favored 'General case' 0 CA--C 1.494 -1.197 0 O-C-N 119.739 -1.851 . . . . 0.0 107.349 -169.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.928 HG11 ' HB2' ' A' ' 20' ' ' GLU . 87.7 t -137.9 117.22 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 112.094 -2.321 . . . . 0.0 105.833 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 38' ' ' PHE . 94.2 mt -94.95 141.41 28.68 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 123.142 1.448 . . . . 0.0 110.283 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.703 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -68.76 148.66 50.02 Favored 'General case' 0 C--O 1.26 1.609 0 C-N-CA 126.704 2.002 . . . . 0.0 113.983 170.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.562 ' HE2' ' HD3' ' A' ' 17' ' ' LYS . 64.6 pttt -80.75 -15.95 55.12 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 117.627 -3.17 . . . . 0.0 113.09 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.449 HD22 ' HG3' ' A' ' 40' ' ' PRO . 91.0 m-20 -62.99 -40.49 97.9 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 123.294 2.77 . . . . 0.0 105.308 -169.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -68.51 -38.17 80.67 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 119.378 -0.929 . . . . 0.0 113.271 -167.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -124.23 -20.58 5.22 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 116.093 -1.908 . . . . 0.0 113.065 -172.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 49.87 47.05 23.66 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.528 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.0 -77.53 0.44 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 114.539 -2.864 . . . . 0.0 111.693 157.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -154.55 19.46 0.47 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 168.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 19' ' ' VAL . . . -66.65 -33.92 76.72 Favored 'General case' 0 C--O 1.197 -1.691 0 O-C-N 119.381 -2.075 . . . . 0.0 112.829 -157.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD3' ' HE2' ' A' ' 9' ' ' LYS . 88.5 tttt -57.56 -44.88 85.58 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.444 1.498 . . . . 0.0 109.909 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -55.07 -39.31 69.12 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.788 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 74.7 t -59.92 -27.76 39.29 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.181 0 O-C-N 126.965 2.665 . . . . 0.0 113.276 -167.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.928 ' HB2' HG11 ' A' ' 6' ' ' VAL . 25.6 tp10 -56.94 -45.32 82.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 117.493 -1.683 . . . . 0.0 113.28 168.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD22 ' HE3' ' A' ' 57' ' ' LYS . 95.6 mt -60.86 -47.56 85.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 119.819 -1.801 . . . . 0.0 110.705 -174.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.22 -38.85 91.72 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.253 1.021 . . . . 0.0 112.8 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.04 -38.72 89.1 Favored 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 116.718 -1.611 . . . . 0.0 110.951 177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD23 ' CE1' ' A' ' 80' ' ' HIS . 32.6 mt -53.79 -56.12 20.39 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.136 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 82.2 t80 -63.33 -46.67 85.55 Favored 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.322 -174.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -76.3 -40.23 52.08 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -62.55 -43.13 99.56 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 124.433 1.093 . . . . 0.0 108.985 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.622 ' HE2' HG13 ' A' ' 81' ' ' ILE . 23.5 t80 -60.64 -49.84 75.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.7 p -65.65 -40.49 92.55 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.126 -1.892 . . . . 0.0 111.516 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.31 -51.95 9.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 O-C-N 124.756 1.285 . . . . 0.0 109.657 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -128.54 157.51 41.0 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 126.268 1.827 . . . . 0.0 107.865 -157.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.97 103.68 11.64 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 162.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -160.13 159.3 31.6 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -139.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.773 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 96.8 p -129.88 155.23 46.36 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.12 -169.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 15.6 pt -126.31 156.98 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 120.792 1.633 . . . . 0.0 110.48 -174.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 54.7 m-85 -102.78 123.28 46.15 Favored 'General case' 0 N--CA 1.52 3.068 0 N-CA-C 120.639 3.57 . . . . 0.0 120.639 149.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' ' HB2' ' A' ' 76' ' ' LEU . 54.4 t80 -109.48 98.2 7.63 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 -160.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HB3' HD23 ' A' ' 7' ' ' LEU . 25.3 t80 -95.49 94.42 7.78 Favored 'General case' 0 C--O 1.25 1.093 0 C-N-CA 130.179 3.392 . . . . 0.0 106.826 -167.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 8' ' ' ALA . . . -144.58 142.95 19.96 Favored Pre-proline 0 CA--C 1.496 -1.123 0 C-N-CA 125.784 1.634 . . . . 0.0 113.832 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HG3' HD22 ' A' ' 10' ' ' ASN . 88.8 Cg_endo -68.79 156.34 65.77 Favored 'Trans proline' 0 C--N 1.367 1.507 0 C-N-CA 114.411 -3.26 . . . . 0.0 109.266 -121.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.0 m -67.21 -37.2 83.24 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 125.6 1.812 . . . . 0.0 115.221 161.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.44 -41.7 55.22 Favored 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 127.507 2.323 . . . . 0.0 114.75 -173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.96 -26.89 10.49 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.675 -1.21 . . . . 0.0 112.837 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.605 ' ND1' ' HE2' ' A' ' 73' ' ' LYS . 14.6 t60 61.61 22.35 12.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.042 2.537 . . . . 0.0 112.751 -170.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -97.36 -52.89 3.64 Favored 'General case' 0 CA--C 1.468 -2.199 0 O-C-N 120.901 -1.125 . . . . 0.0 111.599 -157.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.703 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 89.3 m-20 -59.34 -35.86 74.64 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 126.478 2.361 . . . . 0.0 109.291 170.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 54.1 ttm -68.58 -40.91 80.34 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.9 -43.94 94.53 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.6 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 99.2 mttt -63.48 -37.16 86.22 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.465 1.106 . . . . 0.0 112.647 174.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -56.68 -48.37 77.79 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.3 -43.87 94.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.515 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -67.93 -40.17 83.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 118.461 -2.649 . . . . 0.0 114.838 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 7.2 m-30 -61.04 -45.16 95.91 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 121.758 -0.588 . . . . 0.0 112.277 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.802 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.6 m-30 -60.58 -46.03 91.75 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 -165.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.8 -43.58 98.57 Favored 'General case' 0 CA--C 1.492 -1.286 0 O-C-N 126.465 2.353 . . . . 0.0 110.184 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.01 -42.15 79.81 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.556 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HE3' HD22 ' A' ' 21' ' ' LEU . 71.6 mmtt -61.73 -65.81 0.63 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.81 38.2 20.59 Favored Glycine 0 CA--C 1.557 2.666 0 N-CA-C 120.843 3.097 . . . . 0.0 120.843 -156.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HD1' ' A' ' 25' ' ' TYR . 95.6 m-70 -106.3 -34.1 7.57 Favored 'General case' 0 N--CA 1.511 2.59 0 CA-C-N 123.585 3.693 . . . . 0.0 118.088 160.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.1 t -67.46 153.38 43.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.689 1.596 . . . . 0.0 108.243 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB2' ' HA ' ' A' ' 81' ' ' ILE . . . -89.82 -39.88 12.81 Favored 'General case' 0 N--CA 1.426 -1.66 0 O-C-N 120.38 -1.45 . . . . 0.0 108.751 171.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 64' ' ' ASP . 78.9 t80 -149.37 152.52 35.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.623 1.827 . . . . 0.0 111.919 -170.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.802 HD22 ' HD2' ' A' ' 54' ' ' PHE . 60.8 tp -133.45 137.91 45.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.732 1.213 . . . . 0.0 109.688 169.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.596 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 39.6 t0 -145.54 161.19 40.36 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 128.136 2.575 . . . . 0.0 114.921 172.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -72.32 161.73 30.45 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 118.049 -2.907 . . . . 0.0 109.132 168.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.834 HG12 ' H ' ' A' ' 68' ' ' VAL . 56.1 t -91.04 133.58 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 150.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.53 ' HA ' ' H ' ' A' ' 69' ' ' SER . 30.9 mmt180 -85.21 63.72 8.26 Favored 'General case' 0 C--O 1.198 -1.645 0 O-C-N 119.35 -2.094 . . . . 0.0 114.353 152.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.834 ' H ' HG12 ' A' ' 66' ' ' VAL . 19.3 m -99.12 19.17 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.514 -1.991 . . . . 0.0 107.076 128.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.53 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 94.1 p -62.19 -48.88 78.09 Favored 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 127.197 2.199 . . . . 0.0 105.934 -170.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -62.51 -39.61 94.09 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -71.94 -40.12 68.94 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -131.35 -35.14 1.35 Allowed 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -167.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.662 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 86.0 tttt 59.28 39.57 22.37 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 130.074 3.35 . . . . 0.0 118.589 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -135.07 -7.05 2.34 Favored 'General case' 0 C--N 1.288 -2.074 1 O-C-N 115.322 -4.611 . . . . 0.0 115.707 -167.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 36' ' ' PHE . 40.2 m-85 -101.87 117.51 35.0 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 126.0 2.063 . . . . 0.0 114.084 174.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 56.8 mt -78.58 141.31 38.18 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.61 145.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.672 ' CD2' HD11 ' A' ' 79' ' ' LEU . 25.1 t80 -95.29 98.8 10.86 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 128.332 2.653 . . . . 0.0 108.178 171.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.762 ' C ' HD12 ' A' ' 79' ' ' LEU . 84.5 tt0 -119.91 121.33 38.78 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 122.307 2.321 . . . . 0.0 111.391 -174.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.773 ' HG ' ' HB2' ' A' ' 34' ' ' SER . 4.8 mp -121.37 134.51 55.12 Favored 'General case' 0 CA--C 1.487 -1.453 0 O-C-N 119.159 -2.213 . . . . 0.0 109.541 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.666 ' CE1' HD23 ' A' ' 24' ' ' LEU . 30.2 m170 -113.2 125.24 54.12 Favored 'General case' 0 CA--C 1.481 -1.687 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.031 -160.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.937 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 32.5 mm 0.55 98.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -138.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 168.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.182 -2.474 1 CA-C-O 111.448 -4.12 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -127.09 161.19 29.03 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 103.755 -2.684 . . . . 0.0 103.755 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.9 mtm -132.45 -58.66 0.93 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 121.574 1.988 . . . . 0.0 113.717 138.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' ILE . 97.7 mttt -89.82 -7.61 53.96 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 176.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 36' ' ' PHE . 51.6 tp -113.22 132.54 55.47 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 120.348 1.431 . . . . 0.0 113.093 -163.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.0 HG21 ' OE1' ' A' ' 20' ' ' GLU . 61.9 t -105.35 137.39 35.2 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 171.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.65 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 84.4 mt -107.53 141.39 39.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 123.74 1.733 . . . . 0.0 106.7 174.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -55.79 148.32 16.94 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.601 1.961 . . . . 0.0 111.342 163.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.6 pttt -61.75 -48.05 82.42 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-O 115.87 -2.014 . . . . 0.0 112.243 163.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.427 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 86.0 m-20 -71.83 -42.23 67.22 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 121.605 2.002 . . . . 0.0 113.548 -149.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 40' ' ' PRO . 52.8 m -70.81 -46.28 63.1 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 125.357 1.66 . . . . 0.0 111.514 176.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -106.52 -35.78 6.97 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 116.537 -1.697 . . . . 0.0 114.435 -160.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 89.7 mttt 47.61 33.57 3.07 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 120.917 1.69 . . . . 0.0 113.464 160.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -105.92 -44.63 4.57 Favored 'General case' 0 CA--C 1.496 -1.096 0 C-N-CA 116.643 -2.023 . . . . 0.0 108.388 -168.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -149.53 -9.61 0.31 Allowed 'General case' 0 C--N 1.303 -1.425 1 C-N-CA 132.164 4.186 . . . . 0.0 112.756 163.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 7' ' ' LEU . . . -85.68 -2.8 58.56 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 123.121 1.439 . . . . 0.0 113.82 -137.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.28 142.69 57.61 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 129.684 3.194 . . . . 0.0 117.524 -177.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.0 p 62.87 11.54 5.09 Favored 'General case' 0 N--CA 1.53 3.55 0 C-N-CA 128.446 2.698 . . . . 0.0 112.24 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.96 -33.44 55.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 O-C-N 124.532 1.145 . . . . 0.0 111.166 -167.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 1.0 ' OE1' HG21 ' A' ' 6' ' ' VAL . 42.2 tp10 -64.02 -46.85 82.63 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.45 -47.36 85.79 Favored 'General case' 0 C--O 1.184 -2.372 0 O-C-N 120.446 -1.409 . . . . 0.0 108.823 -171.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -65.64 -39.6 91.61 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.344 -2.741 . . . . 0.0 116.172 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.89 -34.63 77.03 Favored 'General case' 0 CA--C 1.475 -1.917 0 O-C-N 125.774 1.921 . . . . 0.0 106.581 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 20' ' ' GLU . 8.2 mp -50.12 -65.63 0.53 Allowed 'General case' 0 C--O 1.187 -2.23 0 CA-C-O 114.833 -2.508 . . . . 0.0 106.595 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.94 -49.93 72.16 Favored 'General case' 0 C--N 1.384 2.105 1 O-C-N 129.97 4.544 . . . . 0.0 110.447 -176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -83.11 -36.0 25.17 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 117.189 -1.386 . . . . 0.0 113.161 -168.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.65 -38.79 92.44 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CE2' HG13 ' A' ' 81' ' ' ILE . 46.2 t80 -54.01 -59.88 4.06 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.456 174.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 p -63.87 -41.79 97.67 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 126.135 2.147 . . . . 0.0 106.653 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -76.2 -39.34 54.94 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 119.418 1.008 . . . . 0.0 112.939 -169.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -153.65 169.33 23.55 Favored 'General case' 0 C--N 1.286 -2.159 0 C-N-CA 125.904 1.682 . . . . 0.0 112.007 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' A' ' 81' ' ' ILE . 99.4 mttt -118.81 124.01 46.16 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 118.665 -2.522 . . . . 0.0 116.116 172.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' HG2' ' H ' ' A' ' 34' ' ' SER . 44.9 ttp180 -176.39 165.98 2.74 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 118.396 -2.69 . . . . 0.0 112.945 -139.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.531 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 41.2 t -155.9 136.68 13.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 117.964 -2.96 . . . . 0.0 108.575 -148.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.809 HD12 ' ND1' ' A' ' 80' ' ' HIS . 96.5 mt -140.74 150.84 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.614 -135.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' O ' HD12 ' A' ' 5' ' ' LEU . 78.2 m-85 -113.4 136.37 52.85 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.8 t80 -107.36 123.91 49.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 75' ' ' PHE . 41.3 t80 -107.47 97.85 7.54 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 127.862 2.465 . . . . 0.0 110.404 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -139.67 149.9 61.27 Favored Pre-proline 0 N--CA 1.441 -0.915 0 C-N-CA 126.793 2.037 . . . . 0.0 114.554 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 59.6 Cg_endo -74.85 150.86 39.56 Favored 'Trans proline' 0 C--O 1.246 0.924 0 C-N-CA 116.038 -2.174 . . . . 0.0 116.179 -119.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.7 m -62.3 -48.53 79.44 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 171.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -71.9 -38.68 69.9 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 111.566 -2.561 . . . . 0.0 112.579 -161.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.05 -26.87 9.48 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 118.437 2.754 . . . . 0.0 118.437 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 57.53 34.98 25.3 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 127.244 2.217 . . . . 0.0 110.137 -171.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -101.23 -54.82 2.69 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.842 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 80.7 m-20 -60.71 -37.11 80.57 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 116.582 -1.675 . . . . 0.0 107.084 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.428 ' HG3' HD11 ' A' ' 76' ' ' LEU . 51.8 ttm -67.45 -43.61 80.68 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 120.821 1.646 . . . . 0.0 113.605 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.87 -41.34 91.33 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -38.81 92.52 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 118.242 -0.885 . . . . 0.0 113.089 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -56.58 -42.04 77.99 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.168 0.987 . . . . 0.0 112.709 176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.28 -44.44 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 117.796 -1.562 . . . . 0.0 111.884 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -68.82 -39.44 80.01 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.21 -41.5 99.15 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.103 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.822 ' HD2' HD22 ' A' ' 63' ' ' LEU . 12.4 m-30 -61.83 -43.97 97.78 Favored 'General case' 0 C--O 1.16 -3.654 0 O-C-N 124.748 1.28 . . . . 0.0 110.964 -166.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.91 -37.48 78.97 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 113.33 -3.224 . . . . 0.0 110.874 175.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -54.23 -37.03 64.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 121.503 1.956 . . . . 0.0 109.825 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' A' ' 59' ' ' HIS . 99.5 mttt -107.28 152.1 24.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 174.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.85 -12.55 84.06 Favored Glycine 0 C--O 1.194 -2.381 0 C-N-CA 130.071 3.7 . . . . 0.0 116.101 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 57' ' ' LYS . 92.0 m-70 -65.43 -43.49 90.31 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 118.47 -2.782 . . . . 0.0 118.063 -164.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 6.7 t -65.3 161.34 19.72 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.91 -45.59 6.24 Favored 'General case' 0 N--CA 1.44 -0.971 0 O-C-N 120.279 -1.513 . . . . 0.0 109.862 164.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -134.88 157.58 46.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.414 -1.429 . . . . 0.0 112.6 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.831 HD13 ' OE1' ' A' ' 78' ' ' GLU . 61.8 tp -133.97 131.08 38.56 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.419 1.888 . . . . 0.0 112.987 168.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -138.83 165.78 26.14 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.105 -0.997 . . . . 0.0 112.293 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' OE2' ' CZ ' ' A' ' 67' ' ' ARG . 21.4 pt-20 -68.17 165.14 18.88 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 165.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 68' ' ' VAL . 98.9 t -105.34 129.84 57.54 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 CA-C-N 118.92 0.782 . . . . 0.0 111.671 156.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.476 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 82.7 mtt85 -87.38 58.7 5.11 Favored 'General case' 0 C--O 1.201 -1.482 0 C-N-CA 127.284 2.234 . . . . 0.0 115.166 165.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.607 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.5 m -108.42 22.68 4.05 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.612 0 O-C-N 119.417 -2.052 . . . . 0.0 107.476 132.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.488 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 5.0 p -66.6 -34.84 78.77 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 128.246 2.618 . . . . 0.0 111.404 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.6 p -57.58 -42.7 83.62 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 121.508 1.958 . . . . 0.0 108.854 170.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.15 -35.41 36.65 Favored 'General case' 0 C--O 1.224 -0.254 1 N-CA-C 122.383 4.216 . . . . 0.0 122.383 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -116.11 -47.14 2.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 126.071 2.107 . . . . 0.0 114.733 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 88.1 tttt 50.73 49.12 21.6 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 126.693 1.997 . . . . 0.0 110.949 -166.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.83 -10.28 8.27 Favored 'General case' 0 CA--C 1.494 -1.208 0 O-C-N 119.935 -1.728 . . . . 0.0 108.13 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.53 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 48.5 m-85 -109.74 125.25 52.48 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-O 122.593 1.187 . . . . 0.0 112.438 -164.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 47' ' ' MET . 95.2 mt -104.38 143.04 33.53 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.035 164.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 79' ' ' LEU . 38.4 t80 -111.43 105.67 14.36 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 123.134 1.445 . . . . 0.0 107.238 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.831 ' OE1' HD13 ' A' ' 63' ' ' LEU . 19.2 tp10 -98.41 144.46 27.76 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.881 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 78' ' ' GLU . 2.7 mp -130.74 120.27 23.58 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 122.386 2.357 . . . . 0.0 108.545 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.809 ' ND1' HD12 ' A' ' 35' ' ' ILE . 58.9 m80 -110.32 125.25 52.97 Favored 'General case' 0 CA--C 1.486 -1.496 0 CA-C-N 123.236 2.744 . . . . 0.0 108.624 -170.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 81' ' ' ILE . 19.9 mm 26.54 66.46 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 -151.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' HB ' ' HB3' ' A' ' 79' ' ' LEU . 10.4 tp . . . . . 1 C--O 1.432 10.698 1 CA-C-O 111.27 -4.205 . . . . 0.0 111.209 173.185 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -104.16 118.57 36.97 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 116.275 -2.17 . . . . 0.0 116.721 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.711 ' O ' ' HG2' ' A' ' 3' ' ' MET . 49.5 ttp -113.2 3.76 16.18 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.686 3.595 . . . . 0.0 117.034 158.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.02 52.31 1.5 Allowed 'General case' 0 N--CA 1.477 0.925 0 O-C-N 117.564 -3.21 . . . . 0.0 110.589 -157.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.842 ' C ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -139.97 155.01 47.32 Favored 'General case' 0 N--CA 1.406 -2.635 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.893 HG11 ' HB2' ' A' ' 20' ' ' GLU . 92.2 t -126.53 123.64 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 O-C-N 127.127 2.767 . . . . 0.0 111.802 165.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 38' ' ' PHE . 64.2 mt -92.7 146.8 23.37 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.984 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.818 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . . . -60.57 148.06 39.4 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.159 2.584 . . . . 0.0 111.422 164.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' A' ' 13' ' ' LYS . 85.6 tttt -62.72 -49.02 76.7 Favored 'General case' 0 C--O 1.175 -2.816 0 O-C-N 125.621 1.826 . . . . 0.0 111.844 162.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HG3' ' A' ' 40' ' ' PRO . 62.3 t-20 -65.48 -45.94 81.72 Favored 'General case' 0 C--N 1.314 -0.976 1 O-C-N 116.15 -4.094 . . . . 0.0 117.053 -140.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m -64.0 -43.87 94.36 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 125.703 1.877 . . . . 0.0 115.393 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -90.45 -50.73 5.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' A' ' 9' ' ' LYS . 98.6 mttt 55.91 56.09 6.36 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 128.676 2.791 . . . . 0.0 111.463 -174.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -117.2 78.08 1.19 Allowed 'General case' 0 C--O 1.182 -2.463 0 C-N-CA 115.507 -2.477 . . . . 0.0 111.346 137.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 64.52 22.98 12.81 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 128.033 3.778 . . . . 0.0 117.594 153.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' HB ' ' A' ' 19' ' ' VAL . . . -69.15 -30.87 69.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 116.95 -3.594 . . . . 0.0 111.924 -178.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HG2' ' HB2' ' A' ' 9' ' ' LYS . 65.3 pttt -88.2 -9.64 52.4 Favored 'General case' 0 N--CA 1.491 1.607 1 O-C-N 116.187 -4.071 . . . . 0.0 116.372 176.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -60.3 -29.98 69.19 Favored 'General case' 0 C--O 1.216 -0.67 0 O-C-N 119.237 -2.164 . . . . 0.0 112.615 162.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 75.7 t -59.23 -38.63 75.56 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 C-N-CA 126.028 1.731 . . . . 0.0 115.263 178.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HB2' HG11 ' A' ' 6' ' ' VAL . 17.4 tp10 -56.67 -48.0 78.58 Favored 'General case' 0 C--O 1.196 -1.742 0 CA-C-O 124.549 2.119 . . . . 0.0 110.174 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.56 -50.32 74.33 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.972 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.4 -39.36 92.1 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.841 -1.162 . . . . 0.0 111.709 176.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -69.76 -34.86 74.38 Favored 'General case' 0 CA--C 1.47 -2.102 0 O-C-N 126.907 2.63 . . . . 0.0 113.543 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.785 HD23 ' CE1' ' A' ' 80' ' ' HIS . 57.2 mt -54.54 -51.54 64.87 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 117.425 -1.71 . . . . 0.0 111.111 177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 78.2 t80 -66.18 -46.66 76.55 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 124.295 1.038 . . . . 0.0 110.011 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -74.82 -39.46 61.65 Favored 'General case' 0 CA--C 1.481 -1.698 0 C-N-CA 118.048 -1.461 . . . . 0.0 114.148 -173.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.96 -42.01 97.41 Favored 'General case' 0 CA--C 1.475 -1.91 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.1 t80 -63.07 -46.73 86.06 Favored 'General case' 0 N--CA 1.417 -2.116 0 C-N-CA 117.78 -1.568 . . . . 0.0 115.07 -172.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.1 p -65.31 -48.49 72.92 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.69 -46.39 79.21 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 118.031 -1.468 . . . . 0.0 108.2 -166.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -148.01 162.9 38.42 Favored 'General case' 0 N--CA 1.412 -2.372 0 C-N-CA 126.634 1.974 . . . . 0.0 113.141 -157.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -120.49 124.32 45.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.666 ' HG2' ' N ' ' A' ' 34' ' ' SER . 38.3 ttm180 -164.79 173.18 12.06 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 125.621 1.568 . . . . 0.0 115.102 -133.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.666 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 83.4 p -154.86 163.6 40.05 Favored 'General case' 0 N--CA 1.429 -1.516 0 O-C-N 119.053 -2.28 . . . . 0.0 114.56 172.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.538 HD11 ' OE1' ' A' ' 78' ' ' GLU . 38.7 pt -136.22 152.26 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-O 122.102 0.953 . . . . 0.0 108.991 -163.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 68.6 m-85 -92.91 147.81 22.54 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 120.406 -1.434 . . . . 0.0 112.034 152.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' HD1' ' HB ' ' A' ' 6' ' ' VAL . 74.2 t80 -122.27 118.04 27.59 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.922 -1.111 . . . . 0.0 110.063 175.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HD23 ' A' ' 7' ' ' LEU . 67.5 t80 -100.33 96.44 7.44 Favored 'General case' 0 CA--C 1.474 -1.943 0 C-N-CA 127.432 2.293 . . . . 0.0 111.095 -176.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -133.34 142.17 43.25 Favored Pre-proline 0 CA--C 1.485 -1.522 0 CA-C-O 117.599 -1.191 . . . . 0.0 113.272 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.818 ' HD2' ' CB ' ' A' ' 8' ' ' ALA . 22.1 Cg_exo -39.57 144.98 0.27 Allowed 'Trans proline' 0 C--N 1.4 3.252 2 O-C-N 133.274 6.407 . . . . 0.0 126.569 -143.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.4 m -66.96 -45.58 77.32 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 117.815 -1.554 . . . . 0.0 108.941 160.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.472 ' OD1' ' HB3' ' A' ' 40' ' ' PRO . 16.3 p-10 -78.55 -13.31 59.89 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 119.048 2.981 . . . . 0.0 119.048 -165.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' H ' ' HB2' ' A' ' 40' ' ' PRO . . . -120.02 -28.53 5.12 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 159.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 m80 58.44 34.97 24.42 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 128.243 2.617 . . . . 0.0 114.337 -163.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.7 tttt -98.27 -55.01 2.89 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.702 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.0 m-20 -60.01 -36.53 77.42 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 126.655 2.472 . . . . 0.0 107.689 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.421 ' HG3' HD11 ' A' ' 76' ' ' LEU . 63.5 ttp -64.15 -45.48 88.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 tp -58.87 -42.69 90.05 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 122.667 1.222 . . . . 0.0 111.673 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 97.6 mttt -66.24 -35.43 80.4 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 125.518 1.527 . . . . 0.0 112.933 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -57.27 -43.63 83.24 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 125.065 1.478 . . . . 0.0 110.508 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.01 -48.0 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 122.042 0.925 . . . . 0.0 108.569 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.05 -44.28 89.57 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.977 1.311 . . . . 0.0 111.566 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -56.57 -39.11 72.94 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 124.908 1.38 . . . . 0.0 109.085 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.774 ' HD2' HD13 ' A' ' 63' ' ' LEU . 6.9 m-85 -79.44 -32.19 42.69 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 -152.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.04 -44.43 72.69 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 171.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.32 -42.54 86.99 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 119.989 -0.685 . . . . 0.0 112.228 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.611 ' HB3' ' HD2' ' A' ' 59' ' ' HIS . 98.0 mttt -100.69 145.87 27.9 Favored 'General case' 0 C--O 1.208 -1.124 0 O-C-N 120.525 -1.359 . . . . 0.0 111.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.73 4.34 70.08 Favored Glycine 0 C--O 1.193 -2.434 0 C-N-CA 127.494 2.473 . . . . 0.0 112.918 -166.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.611 ' HD2' ' HB3' ' A' ' 57' ' ' LYS . 94.2 m-70 -91.7 10.54 27.86 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 117.01 -3.641 . . . . 0.0 113.485 -156.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.528 HG22 HD22 ' A' ' 24' ' ' LEU . 61.7 p -111.64 -127.79 0.28 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.557 -156.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 79' ' ' LEU . . . -154.78 -49.99 0.09 Allowed 'General case' 0 CA--C 1.475 -1.921 0 O-C-N 116.428 -3.92 . . . . 0.0 104.029 142.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.951 ' HB2' HD21 ' A' ' 79' ' ' LEU . 67.7 m-85 -147.08 165.79 28.87 Favored 'General case' 0 C--N 1.351 0.636 1 O-C-N 129.587 4.304 . . . . 0.0 110.255 166.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.774 HD13 ' HD2' ' A' ' 54' ' ' PHE . 3.7 tt -132.66 144.57 50.42 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 160.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.484 ' N ' HD23 ' A' ' 63' ' ' LEU . 30.6 t0 -154.47 159.36 40.97 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 120.049 -1.657 . . . . 0.0 108.098 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.26 156.67 18.08 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 119.402 -2.062 . . . . 0.0 109.213 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.039 HG12 ' H ' ' A' ' 68' ' ' VAL . 59.5 t -61.01 144.84 13.27 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.331 0 O-C-N 118.188 -2.82 . . . . 0.0 112.466 136.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -87.29 66.69 9.3 Favored 'General case' 0 C--O 1.178 -2.708 1 O-C-N 114.981 -4.824 . . . . 0.0 119.988 139.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.039 ' H ' HG12 ' A' ' 66' ' ' VAL . 35.7 m -107.69 10.21 9.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 117.563 -3.211 . . . . 0.0 106.966 123.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -64.07 -40.11 95.54 Favored 'General case' 0 C--O 1.186 -2.248 0 CA-C-O 123.203 1.477 . . . . 0.0 110.014 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.6 m -59.44 -41.21 89.1 Favored 'General case' 0 C--O 1.206 -1.192 0 O-C-N 119.088 -2.257 . . . . 0.0 111.308 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.38 -43.89 72.59 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 165.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -112.39 -34.15 5.97 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 119.302 3.075 . . . . 0.0 119.302 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 46.89 44.29 14.35 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 130.541 3.536 . . . . 0.0 119.09 -158.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.68 -43.35 6.84 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 116.893 2.183 . . . . 0.0 116.893 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CE1' ' HD1' ' A' ' 38' ' ' PHE . 50.9 m-85 -109.98 109.04 19.49 Favored 'General case' 0 C--O 1.201 -1.496 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -160.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 89.7 mt -89.6 146.27 24.68 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -114.58 122.51 46.74 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.538 ' OE1' HD11 ' A' ' 35' ' ' ILE . 59.9 tt0 -119.08 130.1 55.43 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 120.875 -1.14 . . . . 0.0 111.589 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.951 HD21 ' HB2' ' A' ' 62' ' ' TYR . 2.3 pt? -111.29 130.82 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 118.744 -2.472 . . . . 0.0 107.553 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.785 ' CE1' HD23 ' A' ' 24' ' ' LEU . 11.0 m170 -106.84 118.61 37.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -174.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.964 ' O ' HG22 ' A' ' 82' ' ' ILE . 96.8 mt 59.45 -45.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.186 -2.239 0 CA-C-O 115.828 -2.035 . . . . 0.0 108.48 -171.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.964 HG22 ' O ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.195 -1.777 0 CA-C-N 125.415 3.734 . . . . 0.0 113.585 -168.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 121.586 0.708 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 62.12 34.74 16.14 Favored 'General case' 0 C--O 1.203 -1.393 0 N-CA-C 119.332 3.086 . . . . 0.0 119.332 168.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.647 ' CE ' HH12 ' A' ' 33' ' ' ARG . 24.2 ptm -121.84 8.54 9.96 Favored 'General case' 0 C--O 1.202 -1.436 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 164.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG2' HH21 ' A' ' 33' ' ' ARG . 98.8 mttt -102.69 29.04 5.58 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 115.556 -2.164 . . . . 0.0 105.959 -155.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.806 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 pp -132.58 161.6 33.42 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.096 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.752 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -118.15 137.93 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 127.938 3.274 . . . . 0.0 105.108 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 38' ' ' PHE . 95.2 mt -112.86 147.47 36.92 Favored 'General case' 0 CA--C 1.485 -1.541 0 CA-C-N 120.455 1.479 . . . . 0.0 107.917 168.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -55.44 145.52 22.35 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.093 1.357 . . . . 0.0 110.859 170.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.22 -46.13 85.21 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.72 162.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -61.87 -48.8 78.91 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.089 1.768 . . . . 0.0 115.295 -148.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 p -77.79 -38.15 47.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' NH2' ' CZ ' ' A' ' 38' ' ' PHE . 80.3 mtt85 -106.97 -53.01 2.67 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 120.09 1.314 . . . . 0.0 108.066 -161.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 88.6 tttt 68.39 2.13 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 127.151 2.782 . . . . 0.0 108.936 156.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -62.92 -36.38 83.19 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 116.222 -1.847 . . . . 0.0 115.765 -172.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 39.9 p-10 -146.64 -10.52 0.47 Allowed 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 129.264 3.025 . . . . 0.0 115.323 158.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.38 -0.72 56.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 124.235 1.969 . . . . 0.0 109.632 -123.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 65.2 pttt -68.44 145.3 54.22 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 131.197 3.799 . . . . 0.0 116.333 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.5 p 63.23 8.17 3.23 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 128.52 2.728 . . . . 0.0 112.727 177.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.662 HG23 HG13 ' A' ' 6' ' ' VAL . 31.6 m -69.85 -31.37 47.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.044 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.259 -171.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.752 ' OE1' HG21 ' A' ' 6' ' ' VAL . 29.4 tp10 -64.99 -42.46 94.49 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.805 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD22 ' HD2' ' A' ' 57' ' ' LYS . 92.0 mt -60.53 -47.52 85.8 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 121.506 1.957 . . . . 0.0 112.543 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.21 -41.27 98.22 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 113.604 -1.634 . . . . 0.0 111.631 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.82 -35.56 72.55 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 124.934 1.396 . . . . 0.0 112.293 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD23 ' HD2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -58.19 -53.4 58.7 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.642 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -61.13 -49.62 76.52 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.946 0.899 . . . . 0.0 108.971 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.08 -41.0 59.69 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 115.958 -1.973 . . . . 0.0 113.05 -171.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 87.6 mt-10 -57.02 -46.35 82.43 Favored 'General case' 0 CA--C 1.462 -2.437 0 CA-C-N 120.444 1.475 . . . . 0.0 110.588 174.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -57.7 -64.79 0.78 Allowed 'General case' 0 C--O 1.3 3.757 0 O-C-N 126.169 2.168 . . . . 0.0 109.84 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -54.13 -43.81 70.83 Favored 'General case' 0 C--N 1.286 -2.16 0 C-N-CA 125.29 1.436 . . . . 0.0 110.7 -172.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -71.19 -45.35 63.59 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 125.466 1.729 . . . . 0.0 110.159 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -154.11 162.81 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.099 1.759 . . . . 0.0 114.583 -157.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -115.92 113.57 23.48 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 120.012 3.338 . . . . 0.0 120.012 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.647 HH12 ' CE ' ' A' ' 3' ' ' MET . 16.3 ptm180 -167.49 169.72 11.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.502 1.121 . . . . 0.0 110.727 -141.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 72.1 p -137.52 156.98 47.5 Favored 'General case' 0 C--O 1.265 1.886 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.398 -160.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.656 HD12 ' CE1' ' A' ' 80' ' ' HIS . 75.9 mt -131.95 149.6 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 123.162 1.458 . . . . 0.0 110.99 -173.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' C ' HG22 ' A' ' 35' ' ' ILE . 33.1 m-85 -100.35 127.25 46.71 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.612 -1.177 . . . . 0.0 107.941 158.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.761 ' CE1' ' HB2' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -97.25 114.73 26.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.835 171.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.899 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -93.91 97.64 10.51 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 125.361 1.464 . . . . 0.0 109.617 172.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.763 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -136.21 147.34 60.03 Favored Pre-proline 0 C--O 1.208 -1.122 0 O-C-N 121.568 -0.708 . . . . 0.0 111.669 177.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.626 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 92.0 Cg_endo -61.05 150.53 83.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 117.031 1.897 . . . . 0.0 117.031 -131.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.0 m -72.27 -37.2 69.1 Favored 'General case' 0 C--O 1.205 -1.288 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 158.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.85 -43.17 84.32 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 126.257 1.823 . . . . 0.0 113.421 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.95 -22.99 13.04 Favored 'General case' 1 C--O 1.124 -5.526 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -169.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 67.9 -39.24 0.38 Allowed 'General case' 0 C--N 1.36 1.059 0 C-N-CA 129.434 3.094 . . . . 0.0 115.336 -145.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.29 -47.89 83.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.353 1.861 . . . . 0.0 113.376 -132.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.724 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 84.1 m-20 -63.72 -37.27 86.73 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 62.0 ttp -64.3 -41.37 96.88 Favored 'General case' 0 CA--C 1.505 -0.786 0 O-C-N 124.169 0.918 . . . . 0.0 108.927 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.96 -43.37 98.85 Favored 'General case' 0 C--O 1.205 -1.244 0 C-N-CA 123.73 0.812 . . . . 0.0 111.684 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -37.79 87.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.938 1.295 . . . . 0.0 111.944 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.57 90.47 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.64 -44.1 84.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 CA-C-O 124.216 1.96 . . . . 0.0 107.159 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.2 -39.78 78.43 Favored 'General case' 0 CA--C 1.475 -1.904 0 O-C-N 118.958 -2.338 . . . . 0.0 113.965 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -58.8 -40.64 84.66 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.998 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.045 ' HD2' HD22 ' A' ' 63' ' ' LEU . 21.8 m-85 -74.11 -34.21 63.85 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 122.64 1.21 . . . . 0.0 109.415 -162.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.07 -35.24 76.31 Favored 'General case' 0 C--O 1.204 -1.329 0 C-N-CA 127.427 2.291 . . . . 0.0 114.34 169.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.73 -43.39 98.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 120.639 1.563 . . . . 0.0 114.133 168.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.627 ' HD2' HD22 ' A' ' 21' ' ' LEU . 99.3 mttt -121.98 134.41 54.82 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.05 -2.65 62.51 Favored Glycine 0 C--O 1.22 -0.755 0 C-N-CA 130.607 3.956 . . . . 0.0 119.5 -159.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.555 ' HB2' HD22 ' A' ' 24' ' ' LEU . 98.2 m-70 -77.63 -38.26 48.33 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-N 123.247 3.523 . . . . 0.0 117.679 -165.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 10.0 t -69.24 151.24 46.53 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 119.002 -2.311 . . . . 0.0 111.162 -177.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.82 -38.51 18.07 Favored 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 101.066 -3.679 . . . . 0.0 101.066 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.61 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 53.9 t80 -158.67 158.6 34.08 Favored 'General case' 0 N--CA 1.412 -2.358 0 O-C-N 125.069 1.481 . . . . 0.0 111.541 -175.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.045 HD22 ' HD2' ' A' ' 54' ' ' PHE . 55.7 tp -131.07 130.85 43.74 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.61 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 45.4 t0 -143.88 163.77 32.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 119.754 1.161 . . . . 0.0 111.196 174.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.19 167.54 17.64 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 118.784 -2.447 . . . . 0.0 109.897 170.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.585 HG21 ' CG2' ' A' ' 68' ' ' VAL . 33.0 m -70.29 152.98 8.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 150.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 34.1 mmt180 -92.03 57.35 3.1 Favored 'General case' 0 C--O 1.188 -2.174 0 CA-C-N 120.822 1.646 . . . . 0.0 113.416 140.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.585 ' CG2' HG21 ' A' ' 66' ' ' VAL . 33.3 m -102.7 19.94 3.22 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.55 0 O-C-N 117.095 -3.503 . . . . 0.0 107.781 127.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.494 ' HA ' ' H ' ' A' ' 73' ' ' LYS . 79.1 p -66.01 -39.57 90.37 Favored 'General case' 0 CA--C 1.498 -1.021 0 O-C-N 118.589 -2.569 . . . . 0.0 111.97 -177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -62.01 -43.03 99.71 Favored 'General case' 0 C--O 1.17 -3.103 0 O-C-N 124.477 1.111 . . . . 0.0 109.408 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -74.29 -43.22 57.73 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -120.84 -53.46 2.07 Favored 'General case' 0 CA--C 1.472 -2.046 0 O-C-N 126.398 2.311 . . . . 0.0 106.487 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 17.8 tppt? 51.88 47.07 25.5 Favored 'General case' 0 C--O 1.191 -1.977 0 CA-C-O 124.17 1.938 . . . . 0.0 112.209 -171.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -102.94 -31.89 10.02 Favored 'General case' 0 N--CA 1.484 1.269 1 O-C-N 114.847 -4.908 . . . . 0.0 110.881 162.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 48.4 m-85 -112.92 126.18 55.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.092 1.425 . . . . 0.0 109.289 -147.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 84.6 mt -93.67 138.32 32.02 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 112.63 -2.077 . . . . 0.0 113.807 155.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.782 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.2 t80 -106.35 114.4 28.49 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.644 ' C ' HD12 ' A' ' 79' ' ' LEU . 48.0 tt0 -135.4 124.76 24.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -167.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.782 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.9 mp -118.32 137.42 53.09 Favored 'General case' 0 CA--C 1.488 -1.433 0 O-C-N 119.879 -1.763 . . . . 0.0 106.393 -160.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.656 ' CE1' HD12 ' A' ' 35' ' ' ILE . 61.4 m80 -118.63 116.21 26.14 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 118.897 0.771 . . . . 0.0 111.504 -165.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.748 HG22 ' O ' ' A' ' 81' ' ' ILE . 25.7 mm 46.03 55.23 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -161.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 82' ' ' ILE . 59.1 mt . . . . . 0 C--O 1.298 3.652 0 O-C-N 117.86 -3.025 . . . . 0.0 116.996 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 C--O 1.245 0.818 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -98.6 105.5 17.65 Favored 'General case' 0 N--CA 1.408 -2.572 0 N-CA-C 103.13 -2.915 . . . . 0.0 103.13 173.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.4 mmm -125.88 32.93 5.17 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 131.344 3.858 . . . . 0.0 117.369 141.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.654 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.0 mttt -90.8 4.43 51.7 Favored 'General case' 0 N--CA 1.429 -1.522 0 C-N-CA 117.037 -1.865 . . . . 0.0 106.837 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -122.78 156.09 35.21 Favored 'General case' 0 CA--C 1.484 -1.569 0 C-N-CA 116.564 -2.055 . . . . 0.0 110.547 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.994 HG11 ' HB3' ' A' ' 20' ' ' GLU . 67.7 t -121.32 146.52 26.21 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 126.444 2.34 . . . . 0.0 108.276 174.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' A' ' 38' ' ' PHE . 96.8 mt -116.5 134.9 54.32 Favored 'General case' 0 C--O 1.219 -0.538 0 O-C-N 119.484 -2.01 . . . . 0.0 105.919 178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -56.93 143.86 36.01 Favored 'General case' 0 N--CA 1.411 -2.392 0 C-N-CA 129.856 3.262 . . . . 0.0 107.384 162.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' HG3' ' HA ' ' A' ' 13' ' ' LYS . 87.7 tttt -62.09 -46.02 90.95 Favored 'General case' 0 CA--C 1.565 1.52 0 O-C-N 127.542 3.026 . . . . 0.0 111.199 165.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.03 -43.69 94.81 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 115.646 -2.422 . . . . 0.0 108.511 -136.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -62.84 -41.05 99.19 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -91.19 -50.54 5.78 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 126.516 2.385 . . . . 0.0 112.958 -171.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' HA ' ' HG3' ' A' ' 9' ' ' LYS . 98.4 mttt 52.34 48.35 22.81 Favored 'General case' 0 N--CA 1.425 -1.7 0 C-N-CA 130.594 3.558 . . . . 0.0 115.727 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.5 p -89.97 -60.69 1.86 Allowed 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 120.527 3.529 . . . . 0.0 120.527 159.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 47.1 p-10 -149.44 5.24 0.62 Allowed 'General case' 0 C--N 1.286 -2.184 0 O-C-N 116.825 -3.672 . . . . 0.0 118.483 159.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -68.92 -18.35 64.09 Favored 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 127.83 2.452 . . . . 0.0 112.931 -135.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.708 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 87.4 tttt -63.36 -34.81 78.52 Favored 'General case' 0 C--O 1.17 -3.087 0 CA-C-O 124.169 1.938 . . . . 0.0 114.659 176.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.2 p -61.41 -31.31 71.23 Favored 'General case' 0 N--CA 1.421 -1.91 0 O-C-N 119.012 -2.305 . . . . 0.0 109.224 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 16' ' ' ALA . 94.9 t -58.43 -47.15 88.87 Favored 'Isoleucine or valine' 0 C--N 1.371 1.518 0 O-C-N 126.922 2.639 . . . . 0.0 116.387 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 1.059 ' O ' HD13 ' A' ' 24' ' ' LEU . 23.8 pt-20 -60.82 -46.35 90.89 Favored 'General case' 1 C--O 1.105 -6.525 0 CA-C-O 124.842 2.258 . . . . 0.0 111.87 179.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 96.5 mt -63.72 -44.28 94.07 Favored 'General case' 0 N--CA 1.487 1.407 1 O-C-N 113.567 -5.708 . . . . 0.0 107.854 -176.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -78.39 -33.4 48.84 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.947 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -63.4 -35.23 79.74 Favored 'General case' 0 CA--C 1.463 -2.383 0 O-C-N 120.845 -1.159 . . . . 0.0 108.787 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 20' ' ' GLU . 9.2 mp -65.27 -45.85 82.82 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 117.133 -3.479 . . . . 0.0 108.361 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.464 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 64.0 m-85 -58.96 -50.92 72.25 Favored 'General case' 0 C--N 1.37 1.499 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -74.91 -43.78 52.36 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 116.836 -1.946 . . . . 0.0 114.348 -159.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.982 ' HB3' ' HD3' ' A' ' 33' ' ' ARG . 64.0 mt-10 -64.65 -45.12 88.1 Favored 'General case' 0 N--CA 1.421 -1.878 0 O-C-N 126.153 2.158 . . . . 0.0 105.625 -172.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.801 ' HD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -53.15 -61.2 2.45 Favored 'General case' 1 C--O 1.31 4.289 0 C-N-CA 124.397 1.079 . . . . 0.0 110.8 177.524 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -57.94 -45.81 86.04 Favored 'General case' 0 CA--C 1.487 -1.469 0 O-C-N 126.294 2.246 . . . . 0.0 111.585 -174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -80.41 -41.11 25.14 Favored 'General case' 0 CA--C 1.483 -1.633 0 O-C-N 126.327 2.267 . . . . 0.0 111.94 -173.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.714 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 6.1 p30 -148.18 171.51 15.8 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.955 -1.09 . . . . 0.0 111.172 -171.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -119.64 115.81 24.71 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 171.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.982 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 15.9 ptm180 -165.3 168.29 17.05 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.701 -1.249 . . . . 0.0 107.837 -137.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.924 ' CB ' HD23 ' A' ' 79' ' ' LEU . 91.1 p -127.83 161.34 29.24 Favored 'General case' 0 C--N 1.275 -2.673 0 O-C-N 119.008 -2.307 . . . . 0.0 105.436 -178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.689 HD11 ' OE1' ' A' ' 78' ' ' GLU . 31.5 pt -133.52 160.31 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 C-N-CA 127.774 2.43 . . . . 0.0 112.995 176.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 26.9 m-85 -107.94 118.23 36.22 Favored 'General case' 0 CA--C 1.481 -1.71 0 C-N-CA 129.894 3.278 . . . . 0.0 106.158 168.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 7.3 t80 -97.77 126.14 42.96 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 174.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' HB2' HD23 ' A' ' 7' ' ' LEU . 93.8 m-85 -106.61 116.61 32.23 Favored 'General case' 0 CA--C 1.466 -2.269 0 N-CA-C 103.425 -2.806 . . . . 0.0 103.425 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -155.68 140.36 11.97 Favored Pre-proline 0 CA--C 1.485 -1.531 0 O-C-N 126.154 2.159 . . . . 0.0 115.305 -176.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 86.4 Cg_endo -69.14 148.96 70.27 Favored 'Trans proline' 1 CA--C 1.62 4.809 0 C-N-CA 116.51 -1.86 . . . . 0.0 116.888 -119.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 72' ' ' GLU . 58.6 m -63.69 -43.98 95.05 Favored 'General case' 1 C--N 1.439 4.481 0 O-C-N 125.015 1.447 . . . . 0.0 108.317 167.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.4 -43.93 97.66 Favored 'General case' 0 N--CA 1.503 2.213 1 C-N-CA 132.376 4.27 . . . . 0.0 118.537 -170.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.12 -20.01 12.08 Favored 'General case' 0 CA--C 1.481 -1.684 0 N-CA-C 119.581 3.178 . . . . 0.0 119.581 173.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.5 m80 54.27 39.26 30.68 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 123.879 0.872 . . . . 0.0 112.962 -167.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -113.57 -50.81 2.83 Favored 'General case' 0 CA--C 1.474 -1.956 0 C-N-CA 118.474 -1.29 . . . . 0.0 109.5 -167.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.74 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 97.7 m-20 -60.69 -37.65 82.34 Favored 'General case' 0 CA--C 1.57 1.733 0 C-N-CA 115.303 -2.559 . . . . 0.0 111.368 171.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 1.078 ' HG3' HD11 ' A' ' 76' ' ' LEU . 66.4 ttp -61.81 -43.59 98.54 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 119.107 3.003 . . . . 0.0 119.107 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.53 -40.1 93.45 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.004 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.9 mttt -63.75 -37.13 86.21 Favored 'General case' 0 C--O 1.199 -1.561 0 O-C-N 124.072 0.858 . . . . 0.0 111.941 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -59.49 -41.49 89.94 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.16 -49.13 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.228 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 175.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 99.3 m-20 -64.71 -46.89 80.38 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.312 1.445 . . . . 0.0 111.038 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HE2' ' HE3' ' A' ' 17' ' ' LYS . 23.1 m-30 -65.51 -44.65 86.32 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 115.188 -2.605 . . . . 0.0 117.512 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' HD2' HD22 ' A' ' 63' ' ' LEU . 14.9 m-30 -63.07 -33.56 75.7 Favored 'General case' 0 CA--C 1.477 -1.834 0 O-C-N 128.274 3.484 . . . . 0.0 107.206 -170.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.96 -40.63 78.8 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 98.3 mt-10 -52.75 -28.61 22.97 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -116.62 150.07 38.67 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 128.825 2.85 . . . . 0.0 115.913 176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.08 -10.7 86.03 Favored Glycine 0 CA--C 1.491 -1.414 0 O-C-N 126.295 2.247 . . . . 0.0 116.295 -171.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 99.3 m-70 -62.06 -44.79 95.92 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 118.391 2.737 . . . . 0.0 118.391 -170.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.438 ' HB ' ' OE2' ' A' ' 78' ' ' GLU . 11.5 t -67.01 153.27 44.07 Favored 'General case' 0 N--CA 1.408 -2.571 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.52 -48.61 5.2 Favored 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 128.854 2.862 . . . . 0.0 108.476 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -143.06 148.02 36.01 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -173.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 ' HD2' ' A' ' 54' ' ' PHE . 58.4 tp -125.65 143.96 50.8 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 157.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -150.47 -176.57 5.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 118.685 0.675 . . . . 0.0 109.299 168.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.01 167.37 16.95 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 116.741 -3.725 . . . . 0.0 104.329 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 68' ' ' VAL . 94.9 t -93.05 142.02 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 124.772 1.229 . . . . 0.0 113.566 139.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 28.3 mmt180 -84.94 19.14 2.2 Favored 'General case' 1 C--O 1.147 -4.293 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.766 ' H ' HG12 ' A' ' 66' ' ' VAL . 22.2 m -82.72 2.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.97 0 O-C-N 118.466 -2.647 . . . . 0.0 104.484 146.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 98.7 p -64.68 -42.45 95.34 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 101.75 -3.426 . . . . 0.0 101.75 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.8 p -60.06 -38.85 84.03 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 124.687 1.242 . . . . 0.0 111.828 -171.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -81.98 -45.37 15.45 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 41' ' ' THR . 99.7 mt-10 -102.33 -35.72 8.72 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 126.508 2.38 . . . . 0.0 105.032 -167.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 53.92 42.49 31.68 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.844 3.257 . . . . 0.0 118.552 -154.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -94.0 -29.86 15.01 Favored 'General case' 0 N--CA 1.522 3.142 0 C-N-CA 116.555 -2.058 . . . . 0.0 113.758 -177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -145.7 101.04 3.51 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 118.113 -2.867 . . . . 0.0 103.898 -111.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.078 HD11 ' HG3' ' A' ' 47' ' ' MET . 81.1 mt -113.65 135.36 54.01 Favored 'General case' 0 CA--C 1.462 -2.414 0 O-C-N 125.516 1.76 . . . . 0.0 108.361 -164.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 63' ' ' LEU . 65.8 t80 -106.51 107.18 18.06 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.637 1.575 . . . . 0.0 108.825 -172.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.689 ' OE1' HD11 ' A' ' 35' ' ' ILE . 88.1 tt0 -116.36 139.88 49.94 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 125.847 1.659 . . . . 0.0 106.86 -174.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.034 HD13 HD12 ' A' ' 82' ' ' ILE . 21.4 mt -125.74 134.17 51.85 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 67.4 m80 -111.08 120.76 43.41 Favored 'General case' 0 CA--C 1.465 -2.309 0 C-N-CA 126.482 1.913 . . . . 0.0 113.991 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.821 HG22 ' O ' ' A' ' 81' ' ' ILE . 46.2 mm 41.43 53.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 118.98 2.956 . . . . 0.0 118.98 -166.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.034 HD12 HD13 ' A' ' 79' ' ' LEU . 20.2 tt . . . . . 0 N--CA 1.518 2.966 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 -164.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 119.358 -0.353 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -133.2 154.78 50.33 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 162.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.4 mtp -121.77 22.15 10.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 170.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 59.25 36.25 23.65 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -162.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.0 pp -135.1 161.1 36.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 160.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.767 HG21 ' OE1' ' A' ' 20' ' ' GLU . 94.7 t -125.15 120.97 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.577 172.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 38' ' ' PHE . 80.9 mt -93.96 145.99 24.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 123.519 1.628 . . . . 0.0 108.472 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -71.51 151.78 43.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 124.657 2.17 . . . . 0.0 112.302 163.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -86.18 -30.93 22.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 111.708 -2.496 . . . . 0.0 113.15 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -63.11 -45.87 89.98 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 122.704 2.502 . . . . 0.0 111.32 -167.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -68.08 -43.94 77.42 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 118.237 -1.385 . . . . 0.0 113.386 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -106.39 -25.27 11.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -156.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.37 41.33 23.2 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.6 p -103.84 -65.15 1.03 Allowed 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 121.672 2.033 . . . . 0.0 112.042 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -169.44 27.8 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.127 1.771 . . . . 0.0 111.712 167.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -71.58 -27.48 63.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 123.119 1.438 . . . . 0.0 112.571 -155.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -62.32 -46.3 89.33 Favored 'General case' 0 C--O 1.249 1.055 0 O-C-N 119.815 -1.803 . . . . 0.0 114.087 -149.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.4 p -67.22 -16.97 64.61 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 16' ' ' ALA . 72.2 t -61.56 -38.83 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 C-N-CA 125.467 1.507 . . . . 0.0 111.712 -155.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.767 ' OE1' HG21 ' A' ' 6' ' ' VAL . 49.9 tp10 -64.23 -41.39 97.03 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 117.48 -1.688 . . . . 0.0 111.572 -177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 96.0 mt -60.21 -45.11 94.29 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.445 -1.409 . . . . 0.0 111.927 -175.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.75 -39.33 93.45 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-O 115.225 -2.321 . . . . 0.0 113.601 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.3 -44.26 95.52 Favored 'General case' 0 CA--C 1.481 -1.679 0 O-C-N 125.135 1.522 . . . . 0.0 107.077 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.834 HD23 ' CE1' ' A' ' 80' ' ' HIS . 80.1 mt -54.61 -57.49 11.21 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 122.507 1.146 . . . . 0.0 109.752 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -66.59 -49.97 64.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.14 -176.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.36 -45.15 85.29 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.294 1.045 . . . . 0.0 110.176 -172.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.903 ' OE1' HD11 ' A' ' 35' ' ' ILE . 97.1 mt-10 -74.82 -37.62 62.27 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 115.291 -2.29 . . . . 0.0 114.611 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 81' ' ' ILE . 5.4 t80 -56.56 -45.14 81.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.95 1.406 . . . . 0.0 108.596 173.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.9 p -73.59 -40.37 63.93 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 120.183 -1.573 . . . . 0.0 114.404 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -71.68 -40.68 69.43 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-N 119.914 1.233 . . . . 0.0 113.189 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -151.11 165.91 32.4 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 123.219 0.608 . . . . 0.0 111.779 -164.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 81' ' ' ILE . 96.1 mttt -118.42 118.48 31.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 118.278 -2.764 . . . . 0.0 114.868 168.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' HB3' ' A' ' 27' ' ' GLU . 11.5 ptp180 -160.68 172.38 17.2 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 120.738 -1.226 . . . . 0.0 112.321 -145.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.8 p -136.2 160.11 39.68 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 119.132 0.878 . . . . 0.0 111.479 172.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.903 HD11 ' OE1' ' A' ' 27' ' ' GLU . 95.1 mt -132.71 144.9 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 CA-C-O 124.677 2.179 . . . . 0.0 111.585 -168.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -98.2 138.68 35.12 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 120.277 -1.514 . . . . 0.0 111.267 167.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 12.2 t80 -115.37 107.29 15.03 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 7' ' ' LEU . 4.8 t80 -90.53 101.07 13.81 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -143.6 152.94 57.67 Favored Pre-proline 0 C--N 1.298 -1.652 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 172.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 66.5 Cg_endo -67.36 146.18 74.2 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.788 1.659 . . . . 0.0 110.923 -120.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.7 m -61.69 -42.71 99.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 124.174 0.921 . . . . 0.0 108.579 160.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.11 -61.65 1.95 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 117.34 -1.744 . . . . 0.0 107.788 -156.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.61 84.06 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 73' ' ' LYS . 87.3 m-70 73.2 -14.24 0.63 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.076 2.15 . . . . 0.0 116.096 -151.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.67 -47.44 69.49 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 119.159 -2.213 . . . . 0.0 116.16 -158.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 83.1 m-20 -64.57 -35.95 82.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.901 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.41 ' H ' ' HD2' ' A' ' 40' ' ' PRO . 63.7 ttp -64.86 -41.17 95.9 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 124.529 1.143 . . . . 0.0 110.812 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.19 -40.82 94.74 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.47 -36.63 83.09 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.588 173.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -56.53 -45.54 81.07 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 119.299 0.954 . . . . 0.0 111.98 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.41 -45.62 78.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.043 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -65.32 -44.81 86.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.286 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.81 -34.95 78.35 Favored 'General case' 0 C--N 1.308 -1.233 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.267 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.761 ' HE1' ' HG2' ' A' ' 20' ' ' GLU . 21.4 m-85 -75.2 -33.9 61.46 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 122.031 -0.418 . . . . 0.0 111.603 -168.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.11 -40.45 94.52 Favored 'General case' 0 C--N 1.308 -1.23 0 C-N-CA 125.329 1.452 . . . . 0.0 111.252 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.24 -35.04 76.17 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.175 0.99 . . . . 0.0 112.522 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.537 ' HZ2' ' HB3' ' A' ' 21' ' ' LEU . 97.1 mttt -121.01 133.31 55.26 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 117.644 -1.17 . . . . 0.0 113.26 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.42 4.36 68.54 Favored Glycine 0 CA--C 1.557 2.699 0 C-N-CA 130.497 3.903 . . . . 0.0 122.453 -163.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m-70 -79.64 -38.67 33.25 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 121.459 2.629 . . . . 0.0 117.916 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 12.9 t -56.68 140.35 47.47 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 120.202 -1.562 . . . . 0.0 112.396 166.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -68.14 -48.24 65.91 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.141 -0.974 . . . . 0.0 110.104 163.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.8 t80 -158.83 153.21 24.11 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 76' ' ' LEU . 4.8 tt -124.8 138.48 54.27 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 120.638 1.563 . . . . 0.0 113.223 164.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.617 ' N ' HD23 ' A' ' 63' ' ' LEU . 6.9 t0 -137.01 168.55 19.38 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 163.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.545 ' HB2' HH12 ' A' ' 67' ' ' ARG . 96.4 mt-10 -70.12 172.91 7.24 Favored 'General case' 0 C--O 1.246 0.907 0 O-C-N 120.072 -1.642 . . . . 0.0 111.048 169.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 75' ' ' PHE . 34.8 m -79.35 162.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 119.06 -2.275 . . . . 0.0 112.644 148.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.545 HH12 ' HB2' ' A' ' 65' ' ' GLU . 65.9 mmt-85 -98.76 52.32 0.99 Allowed 'General case' 0 C--O 1.206 -1.224 0 O-C-N 117.398 -3.314 . . . . 0.0 116.775 149.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -107.16 11.05 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.493 -1.38 . . . . 0.0 109.548 132.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.3 p -54.54 -42.54 71.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.1 m -65.67 -41.8 92.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.123 -161.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -76.15 -47.05 25.76 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 127.715 3.134 . . . . 0.0 113.554 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -130.07 -10.75 4.26 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 122.946 2.612 . . . . 0.0 116.98 -162.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 44' ' ' HIS . 96.1 mttt 48.0 40.9 14.13 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -115.32 -34.11 5.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 122.707 2.503 . . . . 0.0 115.875 -172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 86.8 m-85 -106.45 121.39 44.17 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -171.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 63' ' ' LEU . 57.3 mt -77.83 152.76 33.28 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 156.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.74 ' CD2' HD11 ' A' ' 79' ' ' LEU . 60.8 t80 -110.74 112.38 24.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 124.837 1.255 . . . . 0.0 109.491 157.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.557 ' C ' HD12 ' A' ' 79' ' ' LEU . 42.6 tt0 -131.36 132.2 44.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 123.01 1.386 . . . . 0.0 111.29 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.96 ' CD2' HD12 ' A' ' 82' ' ' ILE . 4.4 mp -117.35 127.4 54.02 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 119.514 -1.991 . . . . 0.0 108.612 -158.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.834 ' CE1' HD23 ' A' ' 24' ' ' LEU . 17.1 m170 -108.96 119.68 40.28 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 120.347 1.43 . . . . 0.0 108.666 -168.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.578 HD13 ' HE2' ' A' ' 32' ' ' LYS . 20.5 tt 32.62 61.9 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 123.188 1.471 . . . . 0.0 114.448 -164.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.96 HD12 ' CD2' ' A' ' 79' ' ' LEU . 21.2 tt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 120.695 3.591 . . . . 0.0 120.695 172.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 CA--C 1.477 -1.861 0 CA-C-O 117.996 -1.002 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.404 ' HE1' ' HG ' ' A' ' 5' ' ' LEU . 16.9 t-80 -97.12 111.5 23.7 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -165.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.93 -1.3 17.81 Favored 'General case' 0 CA--C 1.438 -3.343 1 CA-C-O 110.446 -4.597 . . . . 0.0 116.4 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.02 -13.7 38.67 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 127.311 2.245 . . . . 0.0 114.333 -168.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 36' ' ' PHE . 96.4 mt -76.2 165.63 24.62 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 123.725 2.966 . . . . 0.0 112.732 173.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.835 HG21 ' OE1' ' A' ' 20' ' ' GLU . 86.3 t -124.51 148.78 28.73 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 C-N-CA 128.834 2.854 . . . . 0.0 109.29 142.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 93.6 mt -107.92 146.07 32.89 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 174.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -60.89 155.58 19.41 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 127.146 2.178 . . . . 0.0 111.463 158.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HE3' ' HE2' ' A' ' 17' ' ' LYS . 76.7 tttt -62.8 -44.81 95.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 161.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -36.15 82.1 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.394 1.477 . . . . 0.0 112.005 -156.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 40' ' ' PRO . 41.8 p -101.57 -38.75 7.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 115.777 -2.369 . . . . 0.0 113.443 -173.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 14.9 mmp_? -80.17 -47.09 15.25 Favored 'General case' 0 CA--C 1.481 -1.683 0 O-C-N 124.395 1.06 . . . . 0.0 109.076 -175.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -2.99 105.95 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.465 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -130.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.0 p -102.37 -62.66 1.24 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 143.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -138.48 18.7 2.73 Favored 'General case' 0 C--N 1.295 -1.781 1 O-C-N 113.257 -5.902 . . . . 0.0 116.545 164.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 7' ' ' LEU . . . -92.04 0.84 57.47 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 117.466 -3.271 . . . . 0.0 110.91 -139.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HE2' ' HE3' ' A' ' 9' ' ' LYS . 98.3 mttt -61.04 -40.56 94.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 128.94 2.896 . . . . 0.0 110.922 -165.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 p -103.33 3.63 35.51 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 119.425 3.121 . . . . 0.0 119.425 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.1 t -65.42 -40.6 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -161.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.835 ' OE1' HG21 ' A' ' 6' ' ' VAL . 37.1 tp10 -64.79 -43.75 92.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 117.756 -1.578 . . . . 0.0 109.347 -177.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.25 -47.35 85.67 Favored 'General case' 0 C--O 1.228 -0.059 0 C-N-CA 118.145 -1.422 . . . . 0.0 111.998 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.69 -40.07 95.97 Favored 'General case' 0 CA--C 1.494 -1.21 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -68.75 -32.52 72.33 Favored 'General case' 0 CA--C 1.476 -1.896 0 O-C-N 124.403 1.064 . . . . 0.0 110.218 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 80' ' ' HIS . 53.9 mt -54.68 -54.38 42.5 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.932 0.873 . . . . 0.0 109.399 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 52.8 t80 -64.87 -47.98 75.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.157 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 59.4 m170 -70.52 -45.43 65.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.429 1.081 . . . . 0.0 113.276 -168.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.564 ' OE2' HD11 ' A' ' 35' ' ' ILE . 99.7 mt-10 -59.72 -44.81 93.58 Favored 'General case' 0 CA--C 1.479 -1.771 0 O-C-N 125.144 1.527 . . . . 0.0 111.13 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.23 -49.18 78.18 Favored 'General case' 0 N--CA 1.438 -1.065 0 O-C-N 124.645 1.215 . . . . 0.0 111.391 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -65.61 -41.06 93.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.181 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -87.21 -42.89 12.63 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -170.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -132.69 159.32 39.98 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 126.982 2.113 . . . . 0.0 109.165 -163.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 81' ' ' ILE . 97.2 mttt -106.74 129.95 54.54 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 119.136 -2.228 . . . . 0.0 110.091 157.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 34' ' ' SER . 15.9 ttm180 -155.64 158.69 38.74 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.157 -0.964 . . . . 0.0 111.706 -143.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.592 ' HB2' HD23 ' A' ' 79' ' ' LEU . 84.7 p -126.0 164.4 20.92 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.364 161.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.564 HD11 ' OE2' ' A' ' 27' ' ' GLU . 47.7 mm -132.3 156.48 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 125.027 1.331 . . . . 0.0 109.437 -177.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' A' ' 5' ' ' LEU . 47.2 m-85 -117.49 129.27 55.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.377 1.871 . . . . 0.0 109.005 160.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' CB ' ' A' ' 39' ' ' ALA . 89.0 t80 -107.26 107.7 18.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 61.4 t80 -85.28 91.28 8.12 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 127.094 2.158 . . . . 0.0 110.035 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.535 ' CB ' ' CE2' ' A' ' 37' ' ' TYR . . . -141.25 147.06 45.45 Favored Pre-proline 0 C--N 1.315 -0.91 0 O-C-N 119.971 -1.706 . . . . 0.0 114.168 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 72.9 Cg_endo -65.9 149.43 86.43 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 CA-C-O 118.117 -0.868 . . . . 0.0 114.121 -115.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.484 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 9.8 t -68.74 -32.0 71.47 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-O 117.375 -1.298 . . . . 0.0 111.206 166.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 41' ' ' THR . 94.9 m-20 -77.91 -38.52 45.42 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 129.502 3.121 . . . . 0.0 117.055 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.645 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -121.3 -9.98 9.0 Favored 'General case' 0 C--O 1.182 -2.461 0 CA-C-O 114.636 -2.602 . . . . 0.0 116.708 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 48.27 41.78 16.69 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 130.408 3.483 . . . . 0.0 106.171 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 43' ' ' ALA . 97.1 mttt -118.0 -43.78 2.74 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 120.077 1.308 . . . . 0.0 108.875 -171.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 69.4 m-20 -60.26 -39.08 85.53 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 117.908 -1.517 . . . . 0.0 110.19 165.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.475 ' CE ' ' HE3' ' A' ' 73' ' ' LYS . 25.4 ptm -67.49 -39.26 85.2 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 117.857 -3.027 . . . . 0.0 115.981 177.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.42 -39.52 94.01 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 119.685 1.13 . . . . 0.0 109.464 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.22 -35.36 80.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.669 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -58.39 -41.83 85.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.78 -44.13 85.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 O-C-N 124.219 0.95 . . . . 0.0 108.643 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.97 -45.43 93.69 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.47 -39.32 83.3 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.998 ' HD2' HD22 ' A' ' 63' ' ' LEU . 10.8 m-85 -74.49 -35.6 63.24 Favored 'General case' 0 CA--C 1.477 -1.862 0 O-C-N 125.838 1.962 . . . . 0.0 107.749 -161.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.19 -46.34 74.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 128.466 2.707 . . . . 0.0 111.728 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -49.63 -38.94 34.05 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 123.047 2.658 . . . . 0.0 112.859 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 99.1 mttt -99.06 152.6 19.66 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 126.673 2.483 . . . . 0.0 114.822 176.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.86 -8.98 87.5 Favored Glycine 0 CA--C 1.527 0.789 0 O-C-N 120.731 -1.23 . . . . 0.0 113.706 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 64.1 m170 -58.16 -34.42 70.29 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -156.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -100.2 139.77 35.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.283 1.833 . . . . 0.0 113.986 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.26 81.4 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.891 -1.05 . . . . 0.0 112.412 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -163.93 164.34 23.32 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 124.272 0.982 . . . . 0.0 111.262 -175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.998 HD22 ' HD2' ' A' ' 54' ' ' PHE . 46.0 tp -130.17 140.51 50.75 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.276 1.214 . . . . 0.0 114.276 163.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -143.34 173.85 11.25 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.533 -0.729 . . . . 0.0 109.502 168.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -71.43 166.83 20.88 Favored 'General case' 0 C--O 1.218 -0.579 0 O-C-N 119.641 -1.912 . . . . 0.0 112.242 165.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.849 HG12 ' H ' ' A' ' 68' ' ' VAL . 44.6 t -85.58 135.72 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 144.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.674 ' HA ' ' H ' ' A' ' 69' ' ' SER . 78.9 mtt-85 -88.25 65.22 7.97 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 118.02 -2.925 . . . . 0.0 117.326 149.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.849 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.7 m -95.14 17.5 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 128.777 2.831 . . . . 0.0 110.271 117.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.674 ' H ' ' HA ' ' A' ' 67' ' ' ARG . 80.0 p -62.59 -40.05 95.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 120.053 -1.655 . . . . 0.0 112.032 175.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.4 p -63.32 -36.64 84.35 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 121.156 -0.965 . . . . 0.0 108.414 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -75.68 -41.5 53.67 Favored 'General case' 0 C--O 1.206 -1.198 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -125.89 -49.63 1.6 Allowed 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -165.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HE3' ' CE ' ' A' ' 47' ' ' MET . 50.8 tptt 65.43 15.72 10.17 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.667 2.387 . . . . 0.0 114.21 172.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 41' ' ' THR . 5.3 m-20 -71.06 -36.42 72.29 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 162.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -106.73 115.02 29.48 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 122.379 1.085 . . . . 0.0 113.179 -162.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 37' ' ' TYR . 80.4 mt -84.4 150.82 25.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 113.49 -1.686 . . . . 0.0 109.102 158.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -130.66 131.78 45.07 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 118.847 -1.141 . . . . 0.0 113.996 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -137.14 146.41 44.97 Favored 'General case' 0 CA--C 1.479 -1.77 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -152.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.125 HD13 HD12 ' A' ' 82' ' ' ILE . 78.9 mt -130.68 134.71 47.17 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 117.626 -1.63 . . . . 0.0 108.465 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.672 ' CE1' HD23 ' A' ' 24' ' ' LEU . 24.6 m170 -118.1 104.38 10.78 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.66 ' O ' HG22 ' A' ' 82' ' ' ILE . 80.8 mt 77.38 -48.89 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-O 114.404 -2.712 . . . . 0.0 108.078 -172.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.125 HD12 HD13 ' A' ' 79' ' ' LEU . 19.7 tt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 114.011 -2.899 . . . . 0.0 112.063 -165.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.199 -1.592 0 CA-C-O 120.664 0.268 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -54.36 -58.72 6.34 Favored 'General case' 0 C--N 1.374 1.656 0 CA-C-O 116.151 -1.881 . . . . 0.0 114.578 -172.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.1 ttp -131.3 -60.63 0.94 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 122.068 2.213 . . . . 0.0 108.236 162.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.578 ' C ' HD12 ' A' ' 5' ' ' LEU . 61.3 pttt -124.62 30.59 5.93 Favored 'General case' 0 C--O 1.185 -2.296 0 C-N-CA 126.394 1.878 . . . . 0.0 114.085 -151.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 2.1 mp -121.65 160.75 23.78 Favored 'General case' 0 C--N 1.374 1.657 0 C-N-CA 117.599 -1.641 . . . . 0.0 106.764 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.0 HG23 HD11 ' A' ' 35' ' ' ILE . 80.0 t -126.62 151.76 33.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 126.772 2.029 . . . . 0.0 108.757 168.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 12' ' ' ARG . 74.4 mt -118.37 136.0 54.0 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 124.991 1.316 . . . . 0.0 107.625 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.45 142.32 46.86 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 127.397 2.279 . . . . 0.0 111.955 164.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 65.7 pttt -67.16 -27.3 67.18 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 130.759 3.623 . . . . 0.0 115.642 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -88.76 -8.77 53.85 Favored 'General case' 0 CA--C 1.47 -2.126 0 CA-C-N 125.122 3.601 . . . . 0.0 111.85 -168.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.6 m -105.51 -66.85 0.95 Allowed 'General case' 0 C--O 1.179 -2.63 0 CA-C-N 125.489 3.768 . . . . 0.0 119.973 162.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.605 ' HD2' HD22 ' A' ' 7' ' ' LEU . 88.8 mtt180 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.376 1.727 1 N-CA-C 121.969 4.062 . . . . 0.0 121.969 168.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 9' ' ' LYS . 96.8 mttt 54.15 45.82 26.65 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 118.655 2.835 . . . . 0.0 118.655 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 -41.83 9.3 Favored 'General case' 1 C--O 1.134 -4.985 0 N-CA-C 119.61 3.189 . . . . 0.0 119.61 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -158.89 47.28 0.31 Allowed 'General case' 0 C--N 1.396 2.618 0 C-N-CA 130.216 3.406 . . . . 0.0 107.026 148.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -74.06 -36.56 64.36 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 102.07 -3.307 . . . . 0.0 102.07 -150.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 9' ' ' LYS . 97.7 mttt -56.75 -41.53 77.73 Favored 'General case' 0 CA--C 1.558 1.26 0 O-C-N 125.16 1.537 . . . . 0.0 107.445 -118.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.9 p -77.97 -9.28 59.03 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 120.667 3.58 . . . . 0.0 120.667 -172.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 HG22 ' A' ' 6' ' ' VAL . 63.6 t -66.1 -40.73 87.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -155.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB3' HG11 ' A' ' 6' ' ' VAL . 21.7 pt-20 -59.98 -44.58 94.4 Favored 'General case' 0 C--O 1.195 -1.799 0 O-C-N 120.399 -1.438 . . . . 0.0 111.693 174.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -44.73 90.37 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 117.546 -1.662 . . . . 0.0 107.899 -174.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -40.33 84.16 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 27' ' ' GLU . 58.3 t0 -65.54 -38.17 88.85 Favored 'General case' 0 C--O 1.174 -2.899 0 O-C-N 125.277 1.61 . . . . 0.0 108.222 -176.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.677 HD23 ' CD2' ' A' ' 80' ' ' HIS . 71.8 mt -57.21 -54.84 42.2 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.053 -1.654 . . . . 0.0 111.462 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.459 ' HD1' ' HD2' ' A' ' 26' ' ' HIS . 49.8 t80 -58.86 -52.76 64.34 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.459 ' HD2' ' HD1' ' A' ' 25' ' ' TYR . 47.8 m170 -75.68 -36.15 60.15 Favored 'General case' 0 CA--C 1.506 -0.713 0 O-C-N 125.747 1.904 . . . . 0.0 111.063 -167.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.678 ' OE2' ' HB3' ' A' ' 33' ' ' ARG . 79.7 tt0 -65.09 -41.39 95.03 Favored 'General case' 0 CA--C 1.463 -2.397 0 O-C-N 120.542 -1.349 . . . . 0.0 110.177 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -56.66 -51.69 67.79 Favored 'General case' 0 N--CA 1.402 -2.863 0 O-C-N 126.671 2.482 . . . . 0.0 109.029 -179.659 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -66.49 -36.35 82.52 Favored 'General case' 0 C--N 1.39 2.343 0 N-CA-C 118.774 2.879 . . . . 0.0 118.774 -173.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -73.07 -45.32 58.04 Favored 'General case' 0 C--O 1.187 -2.212 0 C-N-CA 128.218 2.607 . . . . 0.0 112.118 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -158.4 163.96 36.73 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.278 -166.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -108.9 119.38 39.39 Favored 'General case' 0 C--N 1.38 1.897 0 O-C-N 119.519 -1.988 . . . . 0.0 114.28 169.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HB3' ' OE2' ' A' ' 27' ' ' GLU . 15.0 mtt180 -167.97 169.35 11.38 Favored 'General case' 0 CA--C 1.473 -1.998 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -148.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -134.5 155.37 50.5 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 6' ' ' VAL . 13.4 tt -125.29 153.98 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 C-N-CA 126.134 1.774 . . . . 0.0 108.18 -167.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.629 ' HB2' ' HG ' ' A' ' 5' ' ' LEU . 84.5 m-85 -107.32 132.02 53.58 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 111.388 -2.642 . . . . 0.0 111.849 157.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 39' ' ' ALA . 10.1 t80 -111.61 112.12 23.6 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.064 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . 51.1 t80 -88.57 98.16 11.5 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 125.092 1.357 . . . . 0.0 109.641 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 37' ' ' TYR . . . -140.2 149.85 59.58 Favored Pre-proline 0 CA--C 1.487 -1.471 0 CA-C-O 117.56 -1.21 . . . . 0.0 111.028 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.2 Cg_endo -69.78 156.16 64.03 Favored 'Trans proline' 0 C--O 1.194 -1.694 0 O-C-N 125.267 2.193 . . . . 0.0 112.569 -123.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.6 m -70.02 -39.62 75.69 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-O 124.434 2.064 . . . . 0.0 111.271 159.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.52 -45.26 72.71 Favored 'General case' 0 C--O 1.195 -1.777 0 C-N-CA 130.758 3.623 . . . . 0.0 113.025 -156.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.42 -46.78 4.68 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.349 -2.205 . . . . 0.0 114.282 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 79.73 2.39 2.15 Favored 'General case' 0 C--O 1.192 -1.938 0 C-N-CA 130.511 3.524 . . . . 0.0 115.637 -162.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.42 -53.0 49.39 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 119.918 3.303 . . . . 0.0 119.918 -171.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.755 ' OD2' ' HB1' ' A' ' 8' ' ' ALA . 75.7 m-20 -63.02 -36.5 83.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 125.601 1.813 . . . . 0.0 109.676 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.591 ' HG3' HD11 ' A' ' 76' ' ' LEU . 55.6 ttm -65.71 -42.7 90.82 Favored 'General case' 0 N--CA 1.426 -1.639 0 O-C-N 123.684 0.615 . . . . 0.0 112.512 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.16 -43.44 98.26 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 119.381 -0.927 . . . . 0.0 111.208 176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.96 -36.09 80.4 Favored 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.81 97.3 Favored 'General case' 0 N--CA 1.409 -2.493 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -55.49 -46.32 78.79 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.812 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -64.6 -47.35 78.93 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 125.115 1.509 . . . . 0.0 112.167 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -55.73 -37.36 68.33 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 121.855 2.116 . . . . 0.0 109.412 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.888 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.6 m-85 -73.24 -35.68 66.29 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 116.922 -1.911 . . . . 0.0 108.757 -158.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.11 -42.79 88.73 Favored 'General case' 0 C--O 1.187 -2.212 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.926 167.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.97 -25.99 64.05 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 118.253 -2.78 . . . . 0.0 114.459 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -118.37 149.91 40.41 Favored 'General case' 1 C--O 1.151 -4.098 0 C-N-CA 126.944 2.098 . . . . 0.0 114.027 177.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.01 -12.05 83.59 Favored Glycine 0 C--N 1.396 3.899 0 N-CA-C 117.767 1.867 . . . . 0.0 117.767 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -61.3 -43.27 99.15 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 122.702 1.239 . . . . 0.0 113.069 -155.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 11.1 t -81.08 148.52 29.62 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.565 -1.198 . . . . 0.0 112.522 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -93.6 -44.85 8.0 Favored 'General case' 0 CA--C 1.483 -1.61 0 O-C-N 120.614 -1.304 . . . . 0.0 109.7 175.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 79' ' ' LEU . 93.3 m-85 -135.67 158.17 45.06 Favored 'General case' 0 C--O 1.203 -1.39 0 O-C-N 126.112 2.132 . . . . 0.0 112.594 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' HD2' ' A' ' 54' ' ' PHE . 54.8 tp -136.49 137.08 39.97 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 120.776 -1.203 . . . . 0.0 112.863 164.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.48 160.55 26.34 Favored 'General case' 0 C--N 1.4 2.798 0 C-N-CA 118.484 -1.286 . . . . 0.0 109.902 168.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.42 151.83 39.93 Favored 'General case' 0 C--O 1.189 -2.13 0 O-C-N 120.46 -1.4 . . . . 0.0 113.953 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.893 HG12 ' H ' ' A' ' 68' ' ' VAL . 71.2 t -73.39 138.71 20.76 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.088 0 C-N-CA 115.415 -2.514 . . . . 0.0 109.203 150.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -84.48 60.47 6.06 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 116.505 -3.872 . . . . 0.0 112.148 156.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.893 ' H ' HG12 ' A' ' 66' ' ' VAL . 32.6 m -97.57 0.48 10.51 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.938 0 CA-C-O 123.322 1.534 . . . . 0.0 111.289 125.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 66' ' ' VAL . 60.0 p -60.63 -44.69 96.06 Favored 'General case' 0 C--N 1.376 1.746 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.6 m -61.0 -41.65 96.93 Favored 'General case' 0 C--O 1.192 -1.96 0 O-C-N 120.404 -1.435 . . . . 0.0 109.558 -171.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -67.48 -40.98 85.29 Favored 'General case' 0 C--O 1.187 -2.208 0 O-C-N 126.972 2.67 . . . . 0.0 117.028 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -155.58 24.7 0.4 Allowed 'General case' 0 C--N 1.38 1.915 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 57.22 39.42 28.73 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 116.615 -3.803 . . . . 0.0 118.087 150.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -121.47 -54.14 1.98 Allowed 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 -162.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 58.0 m-85 -103.05 122.98 45.77 Favored 'General case' 0 C--O 1.264 1.853 0 O-C-N 120.893 -1.13 . . . . 0.0 112.593 -170.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 47' ' ' MET . 92.4 mt -88.64 140.52 29.37 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 126.008 1.723 . . . . 0.0 112.261 160.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 36' ' ' PHE . 42.2 t80 -101.57 107.42 18.68 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.558 ' OE2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -117.4 124.19 48.27 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.178 -1.374 . . . . 0.0 108.189 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -123.6 137.72 54.69 Favored 'General case' 0 CA--C 1.493 -1.247 0 O-C-N 117.664 -3.147 . . . . 0.0 108.807 -170.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.677 ' CD2' HD23 ' A' ' 24' ' ' LEU . 2.8 m80 -114.08 124.3 51.76 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -159.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 81' ' ' ILE . 36.5 mm 42.92 48.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 79' ' ' LEU . 9.2 tp . . . . . 1 C--O 1.125 -5.463 1 O-C-N 115.91 -4.244 . . . . 0.0 112.243 166.785 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 120.829 0.347 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -71.52 136.45 47.53 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 117.407 -1.282 . . . . 0.0 112.4 167.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.1 mtt -112.12 -55.9 2.46 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.032 3.301 . . . . 0.0 114.935 139.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' HD12 ' A' ' 5' ' ' LEU . 97.2 mttt -102.02 9.48 40.37 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 112.67 -2.059 . . . . 0.0 113.723 -164.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.907 HD23 ' HE1' ' A' ' 38' ' ' PHE . 5.6 mp -135.85 152.41 51.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 122.324 2.329 . . . . 0.0 105.613 -166.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.898 HG11 ' HB2' ' A' ' 20' ' ' GLU . 79.5 t -131.82 125.11 54.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-O 122.53 1.157 . . . . 0.0 110.132 -175.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.589 HD23 ' HB2' ' A' ' 38' ' ' PHE . 95.4 mt -97.88 149.29 22.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 119.054 -2.279 . . . . 0.0 108.536 -177.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -73.84 145.27 45.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 128.552 2.741 . . . . 0.0 114.737 167.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.43 -21.09 33.04 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 117.143 -1.823 . . . . 0.0 114.217 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 84.9 m-20 -64.75 -40.85 95.99 Favored 'General case' 0 C--O 1.205 -1.259 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -164.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -73.61 -43.98 58.26 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 120.06 -1.65 . . . . 0.0 115.187 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NE ' HD13 ' A' ' 7' ' ' LEU . 83.2 mtt85 -99.98 -27.0 13.8 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 124.691 1.244 . . . . 0.0 113.3 -169.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 55.86 43.96 26.7 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 127.657 2.383 . . . . 0.0 114.908 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.3 t -98.98 -99.52 0.22 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 38.1 p-10 -127.97 9.96 6.39 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 171.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.77 91.23 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 119.175 0.898 . . . . 0.0 110.956 -137.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.36 -34.7 77.2 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -61.37 -16.07 42.66 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.882 1.674 . . . . 0.0 115.066 -174.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.1 -40.8 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 C-N-CA 129.867 3.267 . . . . 0.0 111.509 -172.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.898 ' HB2' HG11 ' A' ' 6' ' ' VAL . 46.0 tp10 -61.37 -45.44 94.38 Favored 'General case' 0 N--CA 1.427 -1.595 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 ' HE3' ' A' ' 57' ' ' LYS . 96.2 mt -60.26 -50.63 72.89 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.372 -177.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.35 -40.25 95.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.258 -1.526 . . . . 0.0 114.43 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -33.27 71.71 Favored 'General case' 0 CA--C 1.468 -2.186 0 O-C-N 123.493 0.496 . . . . 0.0 110.946 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD13 ' O ' ' A' ' 20' ' ' GLU . 4.5 mp -49.48 -60.29 2.98 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.16 0.505 . . . . 0.0 110.293 174.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' ' CE1' ' A' ' 59' ' ' HIS . 56.9 m-85 -63.71 -48.44 77.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.604 -172.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -73.04 -41.4 64.23 Favored 'General case' 0 N--CA 1.401 -2.879 0 O-C-N 125.789 1.931 . . . . 0.0 113.116 -169.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.02 -45.24 93.42 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 124.392 1.077 . . . . 0.0 111.949 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 81' ' ' ILE . 41.3 t80 -62.26 -47.87 82.41 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 128.761 2.824 . . . . 0.0 112.87 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.1 p -67.05 -44.4 80.25 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 121.453 -0.78 . . . . 0.0 112.619 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -87.52 -31.14 20.09 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 124.658 1.224 . . . . 0.0 112.234 -168.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.4 164.87 33.73 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 119.608 1.095 . . . . 0.0 113.609 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.589 ' HE2' HD13 ' A' ' 81' ' ' ILE . 97.4 mttt -107.29 116.08 31.31 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 117.657 -3.152 . . . . 0.0 115.776 163.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 34' ' ' SER . 39.7 ttm180 -162.44 172.83 14.92 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 118.583 -2.573 . . . . 0.0 106.633 -142.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.876 ' HB2' HD23 ' A' ' 79' ' ' LEU . 90.5 p -149.5 154.8 39.34 Favored 'General case' 0 CA--C 1.483 -1.601 0 O-C-N 120.395 -1.44 . . . . 0.0 111.678 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.577 HD11 ' OE2' ' A' ' 20' ' ' GLU . 29.0 pt -136.09 168.13 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 O-C-N 125.674 1.858 . . . . 0.0 112.102 -169.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 75' ' ' PHE . 29.5 m-85 -116.97 143.75 45.36 Favored 'General case' 0 C--O 1.164 -3.421 0 C-N-CA 125.03 1.332 . . . . 0.0 108.413 168.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.697 ' CE2' ' HB2' ' A' ' 50' ' ' ALA . 5.4 t80 -114.57 118.51 33.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 O-C-N 118.862 -2.399 . . . . 0.0 104.623 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.907 ' HE1' HD23 ' A' ' 5' ' ' LEU . 87.6 m-85 -105.31 95.94 6.17 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -133.55 146.31 59.98 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 129.279 3.032 . . . . 0.0 117.278 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 91.0 Cg_exo -67.01 153.32 78.28 Favored 'Trans proline' 0 C--N 1.359 1.084 0 C-N-CA 115.833 -2.312 . . . . 0.0 115.838 -121.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 92.9 m -65.89 -42.51 90.18 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 123.573 1.654 . . . . 0.0 112.56 163.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -70.26 -41.08 73.94 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 129.028 2.931 . . . . 0.0 116.756 -167.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 44' ' ' HIS . . . -104.09 -34.06 8.55 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 171.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 85.0 m-70 61.42 36.5 17.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 118.147 2.647 . . . . 0.0 118.147 -165.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -113.36 -53.46 2.7 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.134 -160.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 82.7 m-20 -60.2 -36.52 77.85 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.584 1.803 . . . . 0.0 106.64 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.551 ' HG2' HD11 ' A' ' 76' ' ' LEU . 12.3 tmm? -66.3 -44.4 83.6 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -58.68 -40.33 83.27 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 122.045 0.926 . . . . 0.0 110.45 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.8 mttt -64.34 -36.9 85.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.697 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -55.03 -46.22 75.26 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.416 1.487 . . . . 0.0 112.532 175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.27 -47.43 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -67.27 -46.25 74.24 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 19.0 m-30 -60.27 -40.14 89.31 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.575 -176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.789 ' CD2' HD12 ' A' ' 63' ' ' LEU . 6.8 m-30 -75.73 -36.27 59.98 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 100.66 -3.83 . . . . 0.0 100.66 -155.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.88 -45.74 84.72 Favored 'General case' 0 C--O 1.191 -1.991 0 CA-C-O 117.022 -1.466 . . . . 0.0 113.436 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -57.6 -52.8 63.92 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 114.709 -2.567 . . . . 0.0 109.715 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.661 ' HE3' HD22 ' A' ' 21' ' ' LEU . 73.2 mmtt -54.12 -49.69 68.58 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -170.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.5 -30.84 8.67 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 126.131 1.824 . . . . 0.0 117.39 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 63.3 m80 -71.85 -40.8 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 119.205 3.039 . . . . 0.0 119.205 -167.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.626 ' HA ' ' HA ' ' A' ' 80' ' ' HIS . 13.8 t -61.65 153.77 27.07 Favored 'General case' 0 CA--C 1.481 -1.705 0 O-C-N 119.185 -2.197 . . . . 0.0 106.164 168.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' HG22 ' A' ' 82' ' ' ILE . . . -95.47 -37.55 10.86 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.452 ' HE2' ' HB2' ' A' ' 64' ' ' ASP . 86.4 t80 -160.55 157.33 27.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 127.087 2.742 . . . . 0.0 116.816 -173.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.789 HD12 ' CD2' ' A' ' 54' ' ' PHE . 3.0 tt -140.08 140.65 36.14 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.495 -1.378 . . . . 0.0 113.192 168.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.567 ' N ' HD23 ' A' ' 63' ' ' LEU . 8.7 t0 -142.24 176.39 9.01 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.555 1.942 . . . . 0.0 108.192 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -86.28 167.62 14.65 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 121.176 0.512 . . . . 0.0 110.768 173.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 91.6 t -104.77 146.57 11.83 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 O-C-N 120.929 -1.107 . . . . 0.0 108.904 164.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -91.56 59.43 3.79 Favored 'General case' 0 C--O 1.2 -1.502 0 O-C-N 119.267 -2.146 . . . . 0.0 107.32 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.82 3.81 8.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 117.814 -3.054 . . . . 0.0 110.512 124.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 58.8 m -62.57 -39.43 93.67 Favored 'General case' 0 C--O 1.205 -1.24 0 C-N-CA 124.922 1.289 . . . . 0.0 110.577 177.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.7 m -58.67 -45.43 89.41 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-O 117.071 -1.442 . . . . 0.0 108.741 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.19 -46.86 69.52 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 126.584 1.954 . . . . 0.0 115.92 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -126.1 -8.83 6.52 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 118.633 0.652 . . . . 0.0 112.427 -170.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 23.7 tptm -7.16 115.62 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.096 0 O-C-N 118.911 -2.368 . . . . 0.0 116.347 -147.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -131.1 7.3 4.64 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 127.233 2.213 . . . . 0.0 114.36 131.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -109.93 104.88 13.86 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.465 0.65 . . . . 0.0 109.736 -145.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 47' ' ' MET . 96.4 mt -110.5 142.01 42.87 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.743 0.817 . . . . 0.0 112.75 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 64.1 t80 -113.11 104.49 12.42 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 128.743 2.817 . . . . 0.0 106.032 -171.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE2' ' HB ' ' A' ' 60' ' ' THR . 88.6 tt0 -118.03 138.51 52.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -175.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.957 ' CD1' HD12 ' A' ' 82' ' ' ILE . 97.4 mt -122.96 128.12 49.8 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.678 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 94.5 m-70 -108.09 122.0 45.99 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-N 120.15 1.341 . . . . 0.0 110.665 -172.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.589 HD13 ' HE2' ' A' ' 32' ' ' LYS . 19.9 tt 27.04 63.79 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -157.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.957 HD12 ' CD1' ' A' ' 79' ' ' LEU . 19.3 tt . . . . . 0 C--O 1.176 -2.798 1 N-CA-C 121.894 4.035 . . . . 0.0 121.894 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 117.307 -1.33 . . . . 0.0 114.245 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 73.0 m80 55.87 37.86 29.35 Favored 'General case' 0 N--CA 1.474 0.772 1 C-N-CA 133.905 4.882 . . . . 0.0 120.612 -170.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mtp -126.98 28.06 5.86 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 128.142 2.577 . . . . 0.0 115.836 161.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HG2' HH21 ' A' ' 33' ' ' ARG . 99.1 mttt -105.94 33.85 3.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.794 2.437 . . . . 0.0 108.663 -170.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 pp -130.16 167.8 17.81 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 118.692 -1.203 . . . . 0.0 109.616 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.938 HG21 ' OE1' ' A' ' 20' ' ' GLU . 73.1 t -126.59 112.21 28.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 127.874 3.234 . . . . 0.0 113.989 170.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 38' ' ' PHE . 57.3 mt -79.92 140.7 36.59 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.319 -0.863 . . . . 0.0 111.22 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -62.64 136.88 58.1 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 128.711 2.804 . . . . 0.0 111.415 167.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HE3' ' HD3' ' A' ' 17' ' ' LYS . 88.4 tttt -59.52 -43.82 93.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.153 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -60.52 -43.09 97.5 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 131.268 3.827 . . . . 0.0 111.846 -155.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.0 p -108.3 -25.34 11.07 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 117.711 -3.118 . . . . 0.0 112.773 -171.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -101.66 -36.45 8.73 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 123.758 2.981 . . . . 0.0 113.816 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 45.02 55.4 6.21 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-O 115.574 -2.155 . . . . 0.0 114.206 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -102.92 -51.54 3.25 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 114.241 -2.983 . . . . 0.0 118.321 167.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -147.17 14.0 1.12 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.192 2.597 . . . . 0.0 113.741 160.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -62.05 -40.32 95.36 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 119.894 -1.754 . . . . 0.0 106.808 -150.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HD3' ' HE3' ' A' ' 9' ' ' LYS . 65.3 pttt -60.15 150.43 29.79 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -154.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.6 m 66.81 4.43 3.46 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 129.743 3.217 . . . . 0.0 115.19 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 6' ' ' VAL . 13.9 p -62.92 -36.9 77.67 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 C-N-CA 127.799 2.44 . . . . 0.0 112.31 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.938 ' OE1' HG21 ' A' ' 6' ' ' VAL . 52.5 tp10 -63.06 -44.38 95.99 Favored 'General case' 0 N--CA 1.418 -2.063 0 C-N-CA 116.958 -1.897 . . . . 0.0 110.12 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 57' ' ' LYS . 91.9 mt -62.83 -45.43 92.64 Favored 'General case' 0 N--CA 1.426 -1.625 0 C-N-CA 117.224 -1.79 . . . . 0.0 112.414 -171.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.49 -37.35 86.54 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.805 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.2 -36.36 83.94 Favored 'General case' 0 CA--C 1.479 -1.775 0 O-C-N 125.914 2.009 . . . . 0.0 110.03 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 59' ' ' HIS . 50.7 mt -57.37 -56.5 21.08 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 118.52 0.6 . . . . 0.0 110.516 -176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.658 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 60.4 t80 -63.93 -45.73 87.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.82 -41.34 44.7 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 117.433 -1.707 . . . . 0.0 111.342 -166.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . 0.267 93.9 mt-10 -56.97 -46.83 81.91 Favored 'General case' 0 CA--C 1.45 -2.882 0 C-N-CA 124.042 0.937 . . . . 0.0 111.248 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 81' ' ' ILE . 3.1 t80 -56.43 -52.76 63.47 Favored 'General case' 0 N--CA 1.415 -2.208 0 O-C-N 126.684 2.49 . . . . 0.0 110.802 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.0 p -64.81 -47.89 76.38 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 114.674 -1.148 . . . . 0.0 113.175 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -75.51 -47.54 26.53 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -133.61 154.87 50.55 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -158.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -103.2 124.18 48.13 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 115.24 -2.314 . . . . 0.0 112.973 163.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HG2' ' H ' ' A' ' 34' ' ' SER . 67.7 ttt180 -167.2 176.21 6.92 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 123.056 2.662 . . . . 0.0 116.953 -141.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.744 ' HB2' HD23 ' A' ' 79' ' ' LEU . 95.0 p -158.86 146.66 17.86 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 117.182 -3.449 . . . . 0.0 110.643 -168.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.588 HG13 ' HB3' ' A' ' 78' ' ' GLU . 48.0 pt -135.54 165.12 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 124.091 1.9 . . . . 0.0 115.871 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HB3' ' HD2' ' A' ' 75' ' ' PHE . 75.0 m-85 -106.35 138.87 41.75 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.212 1.805 . . . . 0.0 110.588 161.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 1.4 t80 -117.34 118.43 32.21 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 120.16 -1.588 . . . . 0.0 109.353 -178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.3 t80 -113.75 86.14 2.34 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 -145.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -148.31 128.6 6.74 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 113.822 -1.536 . . . . 0.0 113.274 -146.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 98.3 Cg_endo -63.59 142.53 84.42 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 O-C-N 122.916 0.956 . . . . 0.0 111.749 -118.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.1 m -67.94 -40.74 83.22 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 122.216 1.008 . . . . 0.0 110.613 168.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.01 -39.76 72.19 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 130.931 3.692 . . . . 0.0 117.027 -170.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.97 -23.58 10.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 165.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 82.9 m-70 66.72 13.56 9.41 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 119.982 1.264 . . . . 0.0 110.759 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE2' ' NZ ' ' A' ' 49' ' ' LYS . 87.1 tttt -85.72 -50.68 6.99 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 127.328 2.251 . . . . 0.0 111.769 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 70.6 m-20 -65.03 -35.7 82.02 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 125.948 2.03 . . . . 0.0 108.465 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 55.7 ttm -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 118.912 -2.367 . . . . 0.0 115.779 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 44' ' ' HIS . 82.0 mt -60.43 -39.45 87.5 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 123.02 1.391 . . . . 0.0 107.92 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' NZ ' ' HE2' ' A' ' 45' ' ' LYS . 99.3 mttt -62.39 -40.47 96.57 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.321 -0.862 . . . . 0.0 111.237 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.37 85.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.529 1.131 . . . . 0.0 114.022 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.69 -43.03 82.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.26 -43.16 92.19 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -59.86 -39.03 83.82 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.907 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.049 ' HD2' HD22 ' A' ' 63' ' ' LEU . 7.6 m-85 -69.8 -32.74 71.37 Favored 'General case' 0 CA--C 1.493 -1.221 0 O-C-N 125.953 2.033 . . . . 0.0 107.158 -160.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.99 -36.07 62.01 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 112.416 -3.659 . . . . 0.0 116.537 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.21 -35.01 74.46 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 122.754 2.525 . . . . 0.0 109.826 172.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 21' ' ' LEU . 72.2 mmtt -98.39 148.17 23.96 Favored 'General case' 0 C--O 1.184 -2.387 0 CA-C-O 112.795 -3.479 . . . . 0.0 112.761 -178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.11 4.69 74.79 Favored Glycine 0 C--O 1.206 -1.644 0 C-N-CA 128.699 3.047 . . . . 0.0 118.099 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.671 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 99.2 m-70 -97.96 15.04 25.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 121.519 2.659 . . . . 0.0 116.544 -154.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -99.1 -140.79 0.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.058 1.743 . . . . 0.0 107.358 -156.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' LEU . . . -139.19 -62.94 0.53 Allowed 'General case' 0 C--N 1.295 -1.798 1 N-CA-C 99.792 -4.151 . . . . 0.0 99.792 132.121 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -129.8 152.75 48.96 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -164.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.049 HD22 ' HD2' ' A' ' 54' ' ' PHE . 53.6 tp -122.9 137.25 55.0 Favored 'General case' 0 C--N 1.317 -0.804 0 C-N-CA 125.744 1.618 . . . . 0.0 114.071 161.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -143.01 173.14 11.81 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 119.711 -1.868 . . . . 0.0 111.08 169.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -77.54 160.08 28.86 Favored 'General case' 0 CA--C 1.506 -0.74 0 O-C-N 117.596 -3.19 . . . . 0.0 115.614 164.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 68' ' ' VAL . 18.4 m -77.1 164.33 3.54 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 150.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.535 ' NH2' ' OG ' ' A' ' 69' ' ' SER . 11.9 mmp_? -97.92 8.45 44.72 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 164.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 66' ' ' VAL . 20.0 m -76.64 1.11 2.11 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.733 0 CA-C-N 124.171 3.169 . . . . 0.0 107.784 151.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.535 ' OG ' ' NH2' ' A' ' 67' ' ' ARG . 88.3 p -64.18 -38.6 91.64 Favored 'General case' 0 C--O 1.207 -1.148 0 O-C-N 120.684 -1.26 . . . . 0.0 111.968 177.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -62.67 -37.87 88.1 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 117.868 -1.533 . . . . 0.0 107.532 -173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -81.23 -54.4 5.53 Favored 'General case' 0 C--O 1.173 -2.937 0 O-C-N 126.065 2.103 . . . . 0.0 111.747 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 99.8 mt-10 -123.62 -20.06 5.63 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 117.559 -3.213 . . . . 0.0 111.22 -164.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.532 ' HB3' ' HE1' ' A' ' 44' ' ' HIS . 98.6 mttt 73.09 17.28 4.13 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 161.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 -33.25 11.33 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 118.898 2.925 . . . . 0.0 118.898 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.637 ' HD2' ' HB3' ' A' ' 36' ' ' PHE . 96.9 m-85 -111.01 123.46 50.23 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 119.559 1.072 . . . . 0.0 113.165 -171.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 63' ' ' LEU . 96.7 mt -82.46 136.92 34.81 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.125 2.17 . . . . 0.0 109.556 152.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 79' ' ' LEU . 50.0 t80 -100.93 104.36 15.55 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.588 ' HB3' HG13 ' A' ' 35' ' ' ILE . 89.1 tt0 -111.97 128.73 56.25 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.717 -173.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.09 HD13 ' CD1' ' A' ' 82' ' ' ILE . 91.4 mt -117.43 129.96 56.17 Favored 'General case' 0 CA--C 1.474 -1.947 0 O-C-N 119.879 -1.763 . . . . 0.0 113.161 178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -109.94 125.51 52.92 Favored 'General case' 0 C--O 1.204 -1.312 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.726 HG22 ' O ' ' A' ' 81' ' ' ILE . 94.3 mt 53.7 44.28 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.692 0.62 . . . . 0.0 112.072 -178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.09 ' CD1' HD13 ' A' ' 79' ' ' LEU . 20.6 tt . . . . . 0 CA--C 1.572 1.821 1 CA-C-O 110.462 -4.59 . . . . 0.0 115.076 -169.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 CA--C 1.49 -1.341 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.33 123.42 50.24 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 117.356 -1.737 . . . . 0.0 108.248 165.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.451 ' SD ' HD23 ' A' ' 5' ' ' LEU . 25.9 ptm -133.05 24.38 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 112.293 -2.231 . . . . 0.0 115.932 158.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.638 ' HB3' HG22 ' A' ' 35' ' ' ILE . 74.7 mmtt 59.13 53.19 5.61 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 -163.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.816 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -127.68 166.45 18.09 Favored 'General case' 0 CA--C 1.474 -1.979 0 CA-C-O 114.375 -2.726 . . . . 0.0 109.098 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.0 t -122.53 124.03 69.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 128.339 3.524 . . . . 0.0 111.257 169.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.608 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 90.8 mt -96.92 143.2 28.02 Favored 'General case' 0 C--O 1.191 -1.991 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 -174.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 39' ' ' ALA . . . -60.92 139.24 58.06 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 129.253 3.021 . . . . 0.0 116.446 161.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . 87.8 tttt -63.41 -44.27 95.13 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 170.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -64.41 -44.25 91.83 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.186 -164.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 m -65.95 -43.38 88.12 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 116.268 -2.173 . . . . 0.0 112.685 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.602 ' NH2' ' HB2' ' A' ' 16' ' ' ALA . 59.1 ttp85 -104.85 -34.98 7.89 Favored 'General case' 0 C--O 1.207 -1.155 0 N-CA-C 117.797 2.518 . . . . 0.0 117.797 -161.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.83 45.38 21.69 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 126.924 2.09 . . . . 0.0 112.757 167.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.5 p -91.55 -81.96 0.31 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 117.472 -1.691 . . . . 0.0 115.076 163.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -130.87 2.35 4.39 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.524 1.929 . . . . 0.0 115.74 165.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 7' ' ' LEU . . . -58.56 -37.48 75.81 Favored 'General case' 0 C--O 1.204 -1.321 0 O-C-N 120.177 -1.577 . . . . 0.0 107.123 -138.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 9' ' ' LYS 0.292 45.1 tttp -75.71 55.57 0.86 Allowed 'General case' 0 CA--C 1.468 -2.21 0 CA-C-O 114.342 -2.742 . . . . 0.0 116.582 -165.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.9 p -122.95 -23.38 5.01 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 129.987 3.315 . . . . 0.0 118.689 150.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.2 t -67.05 -37.08 78.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 C-N-CA 127.142 2.177 . . . . 0.0 114.927 -148.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 14.8 pt-20 -57.07 -45.12 83.53 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.267 -0.878 . . . . 0.0 112.032 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD22 ' HD2' ' A' ' 57' ' ' LYS . 95.8 mt -66.11 -47.13 75.17 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' CG ' ' CE1' ' A' ' 26' ' ' HIS . 87.1 tt0 -65.33 -38.73 91.03 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 126.185 1.794 . . . . 0.0 114.799 174.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -67.58 -36.7 81.4 Favored 'General case' 0 CA--C 1.491 -1.327 0 O-C-N 124.43 1.081 . . . . 0.0 109.802 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD23 ' CE1' ' A' ' 80' ' ' HIS . 77.0 mt -55.83 -57.01 13.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 118.999 0.818 . . . . 0.0 110.194 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.7 -46.93 88.48 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.431 ' CE1' ' CG ' ' A' ' 22' ' ' GLU . 66.8 m170 -69.78 -46.76 65.04 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -172.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -60.8 -45.69 93.41 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 113.451 -1.704 . . . . 0.0 107.733 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -67.16 -40.08 86.6 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 116.79 -1.964 . . . . 0.0 111.37 -174.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.3 p -64.14 -42.56 96.75 Favored 'General case' 0 N--CA 1.434 -1.246 0 O-C-N 120.41 -1.431 . . . . 0.0 113.853 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.0 -39.98 19.0 Favored 'General case' 0 N--CA 1.418 -2.038 0 O-C-N 126.713 2.508 . . . . 0.0 113.576 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -141.64 160.82 39.37 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 124.817 1.247 . . . . 0.0 113.813 -167.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -115.59 113.57 23.76 Favored 'General case' 0 C--N 1.378 1.834 0 O-C-N 118.26 -2.775 . . . . 0.0 118.464 163.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.694 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 3.5 mmp_? -160.45 177.55 10.45 Favored 'General case' 0 CA--C 1.495 -1.17 0 O-C-N 119.702 -1.873 . . . . 0.0 107.495 -135.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.859 ' HB2' HD23 ' A' ' 79' ' ' LEU . 88.5 p -158.43 158.94 35.13 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 119.482 -2.012 . . . . 0.0 108.848 -174.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.814 ' CD1' ' HE1' ' A' ' 37' ' ' TYR . 38.6 pt -140.69 169.9 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-O 123.515 1.626 . . . . 0.0 110.297 -165.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HB3' ' HD1' ' A' ' 75' ' ' PHE . 31.2 m-85 -117.34 133.53 55.87 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 127.208 2.203 . . . . 0.0 105.813 173.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.814 ' HE1' ' CD1' ' A' ' 35' ' ' ILE . 4.9 m-85 -102.4 131.23 49.19 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 118.259 -1.376 . . . . 0.0 108.133 166.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.584 ' HB3' HD23 ' A' ' 7' ' ' LEU . 56.3 t80 -109.08 101.87 10.9 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . . . -141.21 152.29 64.07 Favored Pre-proline 0 CA--C 1.484 -1.593 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' A' ' 46' ' ' ASP . 63.1 Cg_endo -63.54 145.6 92.03 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 O-C-N 124.536 1.808 . . . . 0.0 113.344 -128.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 m -68.03 -44.1 77.25 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 116.589 -2.044 . . . . 0.0 111.39 157.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.85 -43.75 71.27 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -164.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.53 -36.71 10.68 Favored 'General case' 0 C--O 1.2 -1.507 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.717 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.539 ' HE1' ' HB3' ' A' ' 73' ' ' LYS . 80.5 m-70 57.73 39.57 27.11 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 127.301 2.24 . . . . 0.0 109.524 -168.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.309 85.2 tttt -94.52 -55.33 3.19 Favored 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 118.702 2.853 . . . . 0.0 118.702 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 94.3 m-20 -61.83 -35.33 77.93 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.322 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 76' ' ' LEU . 57.2 ttm -65.12 -41.46 94.85 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.68 -42.61 83.98 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.397 1.57 . . . . 0.0 109.646 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 97.7 mttt -63.55 -38.41 91.01 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.722 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -57.04 -43.0 81.51 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 126.069 2.106 . . . . 0.0 113.676 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.91 -45.44 87.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 125.918 1.687 . . . . 0.0 109.3 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.92 -43.75 91.78 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 125.344 1.458 . . . . 0.0 113.606 173.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 20.9 m-30 -62.84 -37.37 86.55 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 118.377 -0.82 . . . . 0.0 111.214 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.04 ' CD2' HD22 ' A' ' 63' ' ' LEU . 16.8 m-85 -69.0 -40.07 78.96 Favored 'General case' 0 CA--C 1.482 -1.657 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -165.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.62 -38.17 77.11 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.871 1.668 . . . . 0.0 114.603 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.53 -38.83 78.59 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.005 0.815 . . . . 0.0 109.628 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.705 ' HD2' HD22 ' A' ' 21' ' ' LEU . 97.6 mttt -116.28 142.17 47.19 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 5.1 77.85 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 125.696 1.617 . . . . 0.0 116.217 -157.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 69.4 m80 -104.28 22.48 14.74 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-O 114.799 -2.524 . . . . 0.0 112.829 -136.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -119.91 -136.49 0.33 Allowed 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 127.567 2.347 . . . . 0.0 108.131 -150.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 62' ' ' TYR . . . -145.57 -59.36 0.33 Allowed 'General case' 0 C--N 1.292 -1.926 0 O-C-N 116.454 -3.903 . . . . 0.0 100.918 141.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 87.2 m-85 -146.0 151.82 38.38 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 127.827 3.204 . . . . 0.0 116.237 -169.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.04 HD22 ' CD2' ' A' ' 54' ' ' PHE . 53.7 tp -126.18 130.17 50.46 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.848 -1.782 . . . . 0.0 111.369 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -136.76 167.67 21.0 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 122.471 1.129 . . . . 0.0 113.748 170.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.69 166.54 17.13 Favored 'General case' 0 N--CA 1.438 -1.028 0 O-C-N 118.529 -2.607 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.713 ' O ' ' HB2' ' A' ' 69' ' ' SER . 88.2 t -87.01 145.55 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.959 0 C-N-CA 116.017 -2.273 . . . . 0.0 112.53 143.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -85.33 63.81 8.3 Favored 'General case' 0 C--O 1.198 -1.638 2 O-C-N 113.918 -5.489 . . . . 0.0 115.322 154.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.543 ' H ' HG12 ' A' ' 66' ' ' VAL . 26.8 m -109.64 11.54 8.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 117.529 -3.232 . . . . 0.0 108.5 138.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.713 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 70.1 m -121.4 13.57 11.05 Favored 'General case' 0 C--O 1.2 -1.509 0 C-N-CA 128.412 2.685 . . . . 0.0 109.996 -152.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -67.36 -60.01 2.94 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 123.09 1.424 . . . . 0.0 109.813 127.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -66.56 -42.24 87.41 Favored 'General case' 0 C--O 1.214 -0.792 0 C-N-CA 127.23 2.212 . . . . 0.0 115.459 -157.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -130.57 -19.73 3.0 Favored 'General case' 0 C--O 1.211 -0.957 0 O-C-N 125.001 1.438 . . . . 0.0 112.518 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.581 ' H ' ' HA ' ' A' ' 69' ' ' SER . 98.5 mttt 56.51 41.06 29.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 170.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.45 -34.51 7.79 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.588 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 58.9 m-85 -114.13 133.22 55.71 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 118.617 -1.233 . . . . 0.0 111.009 -161.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.821 HD11 ' HG3' ' A' ' 47' ' ' MET . 91.5 mt -106.84 134.28 50.23 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 127.058 2.143 . . . . 0.0 109.897 168.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.697 ' CE2' HD21 ' A' ' 79' ' ' LEU . 67.4 t80 -107.14 109.99 21.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 127.114 2.166 . . . . 0.0 109.339 -167.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 57.8 tt0 -133.76 118.9 18.6 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 109.965 -154.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 34' ' ' SER . 64.3 mt -119.17 131.53 55.87 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -162.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.684 ' CE1' HD23 ' A' ' 24' ' ' LEU . 12.6 m170 -110.97 122.16 47.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.5 mt 61.62 -41.07 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 125.037 1.335 . . . . 0.0 107.772 -173.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 82' ' ' ILE . 82.8 mt . . . . . 0 CA--C 1.578 2.044 1 O-C-N 112.102 -6.623 . . . . 0.0 110.372 -158.682 . . . . . . . . 2 2 . 1 stop_ save_